CID 135612889

2-(1-pyrrolidinylmethyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1CCN(C1)CC2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C13H15N3O/c17-13-10-5-1-2-6-11(10)14-12(15-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2,(H,14,15,17)
InChIKey
QQEUAVYEHZXFIL-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.128776 151.6
[M+Na]+ 252.110718 159.6
[M-H]- 228.114224 153.6
[M+NH4]+ 247.155323 167.4
[M+K]+ 268.084658 154.3
[M+H-H2O]+ 212.118760 142.5
[M+HCOO]- 274.119701 168.9
[M+CH3COO]- 288.135351 162.7
[M+Na-2H]- 250.096166 156.3
[M]+ 229.12095142 148.2
[M]- 229.12204858 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.