CID 6446121

3-(phenylmethylene)imidazo(1,2-c)quinazolin-2(3h)-one

Structural Information

Molecular Formula
C17H11N3O
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N=C3N2C=NC4=CC=CC=C43
InChI
InChI=1S/C17H11N3O/c21-17-15(10-12-6-2-1-3-7-12)20-11-18-14-9-5-4-8-13(14)16(20)19-17/h1-11H/b15-10+
InChIKey
OHAGLIMJAFDKAT-XNTDXEJSSA-N
Compound name
(3E)-3-benzylideneimidazo[1,2-c]quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0902 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09748 163.1
[M+Na]+ 296.07942 173.5
[M-H]- 272.08292 167.9
[M+NH4]+ 291.12402 178.8
[M+K]+ 312.05336 166.4
[M+H-H2O]+ 256.08746 153.1
[M+HCOO]- 318.08840 181.8
[M+CH3COO]- 332.10405 174.6
[M+Na-2H]- 294.06487 169.1
[M]+ 273.08965 162.5
[M]- 273.09075 162.5
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.