CID 9589020

Benzoic acid, ((4-(2-(2-nitrophenyl)-4-oxo-3(4h)-quinazolinyl)phenyl)methylene)hydrazide

Structural Information

Molecular Formula
C28H19N5O4
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5[N+](=O)[O-]
InChI
InChI=1S/C28H19N5O4/c34-27(20-8-2-1-3-9-20)31-29-18-19-14-16-21(17-15-19)32-26(23-11-5-7-13-25(23)33(36)37)30-24-12-6-4-10-22(24)28(32)35/h1-18H,(H,31,34)/b29-18+
InChIKey
JUVKSFSAQWLNJV-RDRPBHBLSA-N
Compound name
N-[(E)-[4-[2-(2-nitrophenyl)-4-oxoquinazolin-3-yl]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.1437 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.150976 215.6
[M+Na]+ 512.132918 219.4
[M-H]- 488.136424 227.1
[M+NH4]+ 507.177523 218.0
[M+K]+ 528.106858 208.5
[M+H-H2O]+ 472.140960 204.8
[M+HCOO]- 534.141901 237.4
[M+CH3COO]- 548.157551 239.9
[M+Na-2H]- 510.118366 223.4
[M]+ 489.14315142 213.6
[M]- 489.14424858 213.6
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.