PubChemLite - 1-ethyl-2-imino-10-methyl-5-oxo-n-(1-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (C23H23N5O2)

Structural Information

Molecular Formula

SMILES

CCN1C2=C(C=C(C1=N)C(=O)NC(C)C3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C

InChI

InChI=1S/C23H23N5O2/c1-4-27-19(24)17(22(29)25-15(3)16-10-6-5-7-11-16)13-18-21(27)26-20-14(2)9-8-12-28(20)23(18)30/h5-13,15,24H,4H2,1-3H3,(H,25,29)

InChIKey

ZMVMWLRBEVWMJA-UHFFFAOYSA-N

Compound name

7-ethyl-6-imino-11-methyl-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-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]+	402.19246	199.5
[M+Na]+	424.17440	209.1
[M-H]-	400.17790	204.8
[M+NH4]+	419.21900	207.8
[M+K]+	440.14834	201.8
[M+H-H2O]+	384.18244	187.9
[M+HCOO]-	446.18338	217.9
[M+CH3COO]-	460.19903	208.3
[M+Na-2H]-	422.15985	204.6
[M]+	401.18463	202.2
[M]-	401.18573	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.19246

199.5

[M+Na]+

424.17440

209.1

[M-H]-

400.17790

204.8

[M+NH4]+

419.21900

207.8

[M+K]+

440.14834

201.8

[M+H-H2O]+

384.18244

187.9

[M+HCOO]-

446.18338

217.9

[M+CH3COO]-

460.19903

208.3

[M+Na-2H]-

422.15985

204.6

[M]+

401.18463

202.2

[M]-

401.18573

202.2

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

1-ethyl-2-imino-10-methyl-5-oxo-n-(1-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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