CID 135449339

2-(piperazin-1-yl)quinazolin-4(3h)-one

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

26
Patents

230.11676 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.124036 153.7
[M+Na]+ 253.105978 160.8
[M-H]- 229.109484 152.5
[M+NH4]+ 248.150583 165.3
[M+K]+ 269.079918 154.3
[M+H-H2O]+ 213.114020 143.6
[M+HCOO]- 275.114961 166.0
[M+CH3COO]- 289.130611 162.7
[M+Na-2H]- 251.091426 160.4
[M]+ 230.11621142 146.3
[M]- 230.11730858 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe