CID 135449339

22587-11-7

Structural Information

Molecular Formula

C₁₂H₁₄N₄O

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C12H14N4O/c17-11-9-3-1-2-4-10(9)14-12(15-11)16-7-5-13-6-8-16/h1-4,13H,5-8H2,(H,14,15,17)

InChIKey

VCAPCTRLKCOJHF-UHFFFAOYSA-N

Compound name

2-piperazin-1-yl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 20
Patents: 230.11676 Da
Monoisotopic Mass: 0.0
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]+	231.12404	153.7
[M+Na]+	253.10598	160.8
[M-H]-	229.10948	152.5
[M+NH4]+	248.15058	165.3
[M+K]+	269.07992	154.3
[M+H-H2O]+	213.11402	143.6
[M+HCOO]-	275.11496	166.0
[M+CH3COO]-	289.13061	162.7
[M+Na-2H]-	251.09143	160.4
[M]+	230.11621	146.3
[M]-	230.11731	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe