CID 6446124

3-((4-nitrophenyl)methylene)imidazo(1,2-c)quinazolin-2(3h)-one

Structural Information

Molecular Formula
C17H10N4O3
SMILES
C1=CC=C2C(=C1)C3=NC(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/N3C=N2
InChI
InChI=1S/C17H10N4O3/c22-17-15(9-11-5-7-12(8-6-11)21(23)24)20-10-18-14-4-2-1-3-13(14)16(20)19-17/h1-10H/b15-9+
InChIKey
CBPLFFKZCXHHCG-OQLLNIDSSA-N
Compound name
(3E)-3-[(4-nitrophenyl)methylidene]imidazo[1,2-c]quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0753 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.08258 169.7
[M+Na]+ 341.06452 185.6
[M+NH4]+ 336.10912 177.0
[M+K]+ 357.03846 182.2
[M-H]- 317.06802 174.1
[M+Na-2H]- 339.04997 176.4
[M]+ 318.07475 173.0
[M]- 318.07585 173.0
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.