CID 9570940

Benzoic acid, p-(p-chlorobenzamido)-, 2-(p-(dimethylamino)benzylidene)hydrazide

Structural Information

Molecular Formula
C23H21ClN4O2
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H21ClN4O2/c1-28(2)21-13-3-16(4-14-21)15-25-27-23(30)18-7-11-20(12-8-18)26-22(29)17-5-9-19(24)10-6-17/h3-15H,1-2H3,(H,26,29)(H,27,30)/b25-15+
InChIKey
CDEPUPXIJHLCTP-MFKUBSTISA-N
Compound name
4-[(4-chlorobenzoyl)amino]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.142576 202.9
[M+Na]+ 443.124518 207.7
[M-H]- 419.128024 214.7
[M+NH4]+ 438.169123 213.3
[M+K]+ 459.098458 202.7
[M+H-H2O]+ 403.132560 192.4
[M+HCOO]- 465.133501 225.9
[M+CH3COO]- 479.149151 239.2
[M+Na-2H]- 441.109966 205.1
[M]+ 420.13475142 205.9
[M]- 420.13584858 205.9
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.