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 152.2
[M+Na]+ 252.11072 165.6
[M+NH4]+ 247.15532 160.2
[M+K]+ 268.08466 160.1
[M-H]- 228.11422 154.4
[M+Na-2H]- 250.09617 158.8
[M]+ 229.12095 154.6
[M]- 229.12205 154.6
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.