CID 9589019

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

Structural Information

Molecular Formula
C30H22N4O2
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)/C=N/NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C30H22N4O2/c35-29(24-11-5-2-6-12-24)33-31-21-23-15-18-25(19-16-23)34-28(20-17-22-9-3-1-4-10-22)32-27-14-8-7-13-26(27)30(34)36/h1-21H,(H,33,35)/b20-17+,31-21+
InChIKey
GUDQVBUUBXSINS-FMXSCBNESA-N
Compound name
N-[(E)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.1743 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.18158 217.0
[M+Na]+ 493.16352 222.8
[M-H]- 469.16702 228.0
[M+NH4]+ 488.20812 221.5
[M+K]+ 509.13746 213.7
[M+H-H2O]+ 453.17156 202.1
[M+HCOO]- 515.17250 237.9
[M+CH3COO]- 529.18815 224.0
[M+Na-2H]- 491.14897 222.0
[M]+ 470.17375 216.1
[M]- 470.17485 216.1
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.