CID 9589017

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

Structural Information

Molecular Formula
C28H20N4O2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)/C=N/NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C28H20N4O2/c33-27(22-11-5-2-6-12-22)31-29-19-20-15-17-23(18-16-20)32-26(21-9-3-1-4-10-21)30-25-14-8-7-13-24(25)28(32)34/h1-19H,(H,31,33)/b29-19+
InChIKey
VBFBXYKKTWFGSS-VUTHCHCSSA-N
Compound name
N-[(E)-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.15863 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.16591 208.9
[M+Na]+ 467.14785 215.3
[M-H]- 443.15135 220.3
[M+NH4]+ 462.19245 214.5
[M+K]+ 483.12179 207.1
[M+H-H2O]+ 427.15589 194.3
[M+HCOO]- 489.15683 230.4
[M+CH3COO]- 503.17248 216.7
[M+Na-2H]- 465.13330 214.9
[M]+ 444.15808 208.2
[M]- 444.15918 208.2
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.