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]+ 319.082576 171.5
[M+Na]+ 341.064518 179.8
[M-H]- 317.068024 176.6
[M+NH4]+ 336.109123 184.1
[M+K]+ 357.038458 169.6
[M+H-H2O]+ 301.072560 165.6
[M+HCOO]- 363.073501 190.8
[M+CH3COO]- 377.089151 200.8
[M+Na-2H]- 339.049966 179.2
[M]+ 318.07475142 169.6
[M]- 318.07584858 169.6
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.