CID 9589018

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

Structural Information

Molecular Formula
C28H19ClN4O2
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=C5Cl
InChI
InChI=1S/C28H19ClN4O2/c29-24-12-6-4-10-22(24)26-31-25-13-7-5-11-23(25)28(35)33(26)21-16-14-19(15-17-21)18-30-32-27(34)20-8-2-1-3-9-20/h1-18H,(H,32,34)/b30-18+
InChIKey
LIABSFGCZACZDP-UXHLAJHPSA-N
Compound name
N-[(E)-[4-[2-(2-chlorophenyl)-4-oxoquinazolin-3-yl]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.11966 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.12694 216.8
[M+Na]+ 501.10888 224.9
[M-H]- 477.11238 228.2
[M+NH4]+ 496.15348 222.3
[M+K]+ 517.08282 215.7
[M+H-H2O]+ 461.11692 202.6
[M+HCOO]- 523.11786 233.7
[M+CH3COO]- 537.13351 224.5
[M+Na-2H]- 499.09433 221.5
[M]+ 478.11911 219.3
[M]- 478.12021 219.3
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.