CID 9662161

4-(2-(4-chlorobenzoyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C21H15ClN2O3
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H15ClN2O3/c22-18-10-8-16(9-11-18)20(25)24-23-14-15-6-12-19(13-7-15)27-21(26)17-4-2-1-3-5-17/h1-14H,(H,24,25)/b23-14+
InChIKey
JLSWARIERQDYCU-OEAKJJBVSA-N
Compound name
[4-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.07712 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.08440 188.4
[M+Na]+ 401.06634 194.7
[M-H]- 377.06984 199.0
[M+NH4]+ 396.11094 200.2
[M+K]+ 417.04028 189.0
[M+H-H2O]+ 361.07438 178.7
[M+HCOO]- 423.07532 209.8
[M+CH3COO]- 437.09097 220.8
[M+Na-2H]- 399.05179 192.1
[M]+ 378.07657 191.6
[M]- 378.07767 191.6
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.