CID 71624854

1434288-24-0

Structural Information

Molecular Formula

C₁₇H₁₄N₄O

SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CN3C=NC4=CC=CC=C43

InChI

InChI=1S/C17H14N4O/c1-12-5-4-8-16-19-13(9-17(22)21(12)16)10-20-11-18-14-6-2-3-7-15(14)20/h2-9,11H,10H2,1H3

InChIKey

ICTBPKWPCGSFPZ-UHFFFAOYSA-N

Compound name

2-(benzimidazol-1-ylmethyl)-6-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 290.11676 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

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]+	291.12404	168.5
[M+Na]+	313.10598	181.4
[M-H]-	289.10948	173.0
[M+NH4]+	308.15058	182.6
[M+K]+	329.07992	174.1
[M+H-H2O]+	273.11402	157.9
[M+HCOO]-	335.11496	188.3
[M+CH3COO]-	349.13061	180.4
[M+Na-2H]-	311.09143	175.5
[M]+	290.11621	172.4
[M]-	290.11731	172.4

Literature stripe

literature stripe

Patent stripe

patents stripe