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]+ 421.14258 202.9
[M+Na]+ 443.12452 207.7
[M-H]- 419.12802 214.7
[M+NH4]+ 438.16912 213.3
[M+K]+ 459.09846 202.7
[M+H-H2O]+ 403.13256 192.4
[M+HCOO]- 465.13350 225.9
[M+CH3COO]- 479.14915 239.2
[M+Na-2H]- 441.10997 205.1
[M]+ 420.13475 205.9
[M]- 420.13585 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.