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]+ 490.15098 215.6
[M+Na]+ 512.13292 219.4
[M-H]- 488.13642 227.1
[M+NH4]+ 507.17752 218.0
[M+K]+ 528.10686 208.5
[M+H-H2O]+ 472.14096 204.8
[M+HCOO]- 534.14190 237.4
[M+CH3COO]- 548.15755 239.9
[M+Na-2H]- 510.11837 223.4
[M]+ 489.14315 213.6
[M]- 489.14425 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.