CID 9588300

Benzoic acid, 4-chloro-2-((2-methylphenyl)amino)-, ((4,5-dimethoxy-2-nitrophenyl)methylene)hydrazide

Structural Information

Molecular Formula
C23H21ClN4O5
SMILES
CC1=CC=CC=C1NC2=C(C=CC(=C2)Cl)C(=O)N/N=C/C3=CC(=C(C=C3[N+](=O)[O-])OC)OC
InChI
InChI=1S/C23H21ClN4O5/c1-14-6-4-5-7-18(14)26-19-11-16(24)8-9-17(19)23(29)27-25-13-15-10-21(32-2)22(33-3)12-20(15)28(30)31/h4-13,26H,1-3H3,(H,27,29)/b25-13+
InChIKey
VIDKSKVCHGEDQY-DHRITJCHSA-N
Compound name
4-chloro-N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(2-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.12006 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.12734 212.3
[M+Na]+ 491.10928 217.1
[M-H]- 467.11278 223.0
[M+NH4]+ 486.15388 219.7
[M+K]+ 507.08322 208.7
[M+H-H2O]+ 451.11732 206.1
[M+HCOO]- 513.11826 235.1
[M+CH3COO]- 527.13391 238.3
[M+Na-2H]- 489.09473 215.4
[M]+ 468.11951 216.8
[M]- 468.12061 216.8
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.