CID 9570939

Benzoic acid, p-(p-chlorobenzamido)-, 2-(p-methylbenzylidene)hydrazide

Structural Information

Molecular Formula
C22H18ClN3O2
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H18ClN3O2/c1-15-2-4-16(5-3-15)14-24-26-22(28)18-8-12-20(13-9-18)25-21(27)17-6-10-19(23)11-7-17/h2-14H,1H3,(H,25,27)(H,26,28)/b24-14+
InChIKey
KQCCEMDYOQWESW-ZVHZXABRSA-N
Compound name
4-[(4-chlorobenzoyl)amino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.10876 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.11604 194.4
[M+Na]+ 414.09798 200.4
[M-H]- 390.10148 205.0
[M+NH4]+ 409.14258 205.7
[M+K]+ 430.07192 194.0
[M+H-H2O]+ 374.10602 184.6
[M+HCOO]- 436.10696 216.2
[M+CH3COO]- 450.12261 228.0
[M+Na-2H]- 412.08343 197.2
[M]+ 391.10821 196.4
[M]- 391.10931 196.4
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.