CID 6474631

Nsc657358

Structural Information

Molecular Formula
C25H17N5O4
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C25H17N5O4/c1-16-26-22(15-17-11-13-19(14-12-17)30(33)34)25(32)28(16)29-23(18-7-3-2-4-8-18)27-21-10-6-5-9-20(21)24(29)31/h2-15H,1H3/b22-15+
InChIKey
RJBINDGPUXDXQT-PXLXIMEGSA-N
Compound name
3-[(4E)-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxoimidazol-1-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.12805 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.13533 210.5
[M+Na]+ 474.11727 218.1
[M-H]- 450.12077 219.9
[M+NH4]+ 469.16187 214.5
[M+K]+ 490.09121 205.7
[M+H-H2O]+ 434.12531 200.9
[M+HCOO]- 496.12625 227.9
[M+CH3COO]- 510.14190 226.8
[M+Na-2H]- 472.10272 213.6
[M]+ 451.12750 208.9
[M]- 451.12860 208.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.