PubChemLite - Stc-15 (C24H25N5O2)

Structural Information

Molecular Formula

SMILES

C1CC(C1)CNCC2=CC3=C(N2)C=C(C=C3)CNC(=O)C4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C24H25N5O2/c30-23-12-21(28-22-6-1-2-9-29(22)23)24(31)26-14-17-7-8-18-11-19(27-20(18)10-17)15-25-13-16-4-3-5-16/h1-2,6-12,16,25,27H,3-5,13-15H2,(H,26,31)

InChIKey

MFQFZLWCFZZHAI-UHFFFAOYSA-N

Compound name

N-[[2-[(cyclobutylmethylamino)methyl]-1H-indol-6-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-2-carboxamide

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]+	416.20812	198.9
[M+Na]+	438.19006	203.6
[M-H]-	414.19356	204.6
[M+NH4]+	433.23466	200.8
[M+K]+	454.16400	199.5
[M+H-H2O]+	398.19810	181.5
[M+HCOO]-	460.19904	215.4
[M+CH3COO]-	474.21469	205.7
[M+Na-2H]-	436.17551	201.9
[M]+	415.20029	207.0
[M]-	415.20139	207.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

416.20812

198.9

[M+Na]+

438.19006

203.6

[M-H]-

414.19356

204.6

[M+NH4]+

433.23466

200.8

[M+K]+

454.16400

199.5

[M+H-H2O]+

398.19810

181.5

[M+HCOO]-

460.19904

215.4

[M+CH3COO]-

474.21469

205.7

[M+Na-2H]-

436.17551

201.9

[M]+

415.20029

207.0

[M]-

415.20139

207.0

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

Stc-15

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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