CID 333694

70575-38-1

Structural Information

Molecular Formula
C14H15N3O
SMILES
CC1=NC2=CC=CC=C2C(=O)N1N3C4C3CCC4
InChI
InChI=1S/C14H15N3O/c1-9-15-11-6-3-2-5-10(11)14(18)16(9)17-12-7-4-8-13(12)17/h2-3,5-6,12-13H,4,7-8H2,1H3
InChIKey
CCDHIIZKBXUFID-UHFFFAOYSA-N
Compound name
3-(6-azabicyclo[3.1.0]hexan-6-yl)-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 164.9
[M+Na]+ 264.11072 177.6
[M-H]- 240.11422 170.3
[M+NH4]+ 259.15532 177.8
[M+K]+ 280.08466 170.7
[M+H-H2O]+ 224.11876 156.2
[M+HCOO]- 286.11970 183.2
[M+CH3COO]- 300.13535 176.4
[M+Na-2H]- 262.09617 168.6
[M]+ 241.12095 167.7
[M]- 241.12205 167.7
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.