CID 9588311

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

Structural Information

Molecular Formula
C23H21ClN4O6
SMILES
COC1=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/C23H21ClN4O6/c1-32-20-7-5-4-6-17(20)26-18-11-15(24)8-9-16(18)23(29)27-25-13-14-10-21(33-2)22(34-3)12-19(14)28(30)31/h4-13,26H,1-3H3,(H,27,29)/b25-13+
InChIKey
HCBQNEDCQGREHH-DHRITJCHSA-N
Compound name
4-chloro-N-[(E)-(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-2-(2-methoxyanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.11496 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.12224 214.4
[M+Na]+ 507.10418 218.7
[M-H]- 483.10768 225.0
[M+NH4]+ 502.14878 220.9
[M+K]+ 523.07812 211.2
[M+H-H2O]+ 467.11222 207.9
[M+HCOO]- 529.11316 237.2
[M+CH3COO]- 543.12881 240.5
[M+Na-2H]- 505.08963 217.9
[M]+ 484.11441 220.1
[M]- 484.11551 220.1
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.