PubChemLite - Carbamic acid, [6-[(diphenylmethyl)amino]-4-phenylpyrido[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]-, ethyl ester (C30H25N7O2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)NC1=NC(=C2C(=C1)N3C=NN=C3C(=N2)C4=CC=CC=C4)NC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H25N7O2/c1-2-39-30(38)33-24-18-23-27(34-26(22-16-10-5-11-17-22)29-36-31-19-37(23)29)28(32-24)35-25(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-19,25H,2H2,1H3,(H2,32,33,35,38)

InChIKey

HWRSGVGYAAERDB-UHFFFAOYSA-N

Compound name

ethyl N-[10-(benzhydrylamino)-7-phenyl-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]carbamate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	516.21428	218.7
[M+Na]+	538.19622	224.4
[M-H]-	514.19972	226.8
[M+NH4]+	533.24082	219.5
[M+K]+	554.17016	215.7
[M+H-H2O]+	498.20426	203.7
[M+HCOO]-	560.20520	234.5
[M+CH3COO]-	574.22085	224.2
[M+Na-2H]-	536.18167	224.5
[M]+	515.20645	220.2
[M]-	515.20755	220.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

516.21428

218.7

[M+Na]+

538.19622

224.4

[M-H]-

514.19972

226.8

[M+NH4]+

533.24082

219.5

[M+K]+

554.17016

215.7

[M+H-H2O]+

498.20426

203.7

[M+HCOO]-

560.20520

234.5

[M+CH3COO]-

574.22085

224.2

[M+Na-2H]-

536.18167

224.5

[M]+

515.20645

220.2

[M]-

515.20755

220.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Carbamic acid, [6-[(diphenylmethyl)amino]-4-phenylpyrido[3,4-e][1,2,4]triazolo[4,3-a]pyrazin-8-yl]-, ethyl ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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