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

Structural Information

Molecular Formula

SMILES

CCCN1C2=C(C=C(C1=N)C(=O)NC(C)C3=CC=CC=C3)C(=O)N4C=CC=CC4=N2

InChI

InChI=1S/C23H23N5O2/c1-3-12-28-20(24)17(22(29)25-15(2)16-9-5-4-6-10-16)14-18-21(28)26-19-11-7-8-13-27(19)23(18)30/h4-11,13-15,24H,3,12H2,1-2H3,(H,25,29)

InChIKey

VVCBVVVSMOBCJF-UHFFFAOYSA-N

Compound name

6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-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	196.5
[M+Na]+	424.17440	212.3
[M+NH4]+	419.21900	202.3
[M+K]+	440.14834	204.1
[M-H]-	400.17790	201.1
[M+Na-2H]-	422.15985	204.3
[M]+	401.18463	200.0
[M]-	401.18573	200.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

402.19246

196.5

[M+Na]+

424.17440

212.3

[M+NH4]+

419.21900

202.3

[M+K]+

440.14834

204.1

[M-H]-

400.17790

201.1

[M+Na-2H]-

422.15985

204.3

[M]+

401.18463

200.0

[M]-

401.18573

200.0

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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