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]+ 230.12878 151.6
[M+Na]+ 252.11072 159.6
[M-H]- 228.11422 153.6
[M+NH4]+ 247.15532 167.4
[M+K]+ 268.08466 154.3
[M+H-H2O]+ 212.11876 142.5
[M+HCOO]- 274.11970 168.9
[M+CH3COO]- 288.13535 162.7
[M+Na-2H]- 250.09617 156.3
[M]+ 229.12095 148.2
[M]- 229.12205 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.