CID 51060958

4-chloro-n-(2-((2-(2,4,5-trimethoxybenzylidene)hydrazino)carbonyl)phenyl)benzenesulfonamide

Structural Information

Molecular Formula
C23H22ClN3O6S
SMILES
COC1=CC(=C(C=C1/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C23H22ClN3O6S/c1-31-20-13-22(33-3)21(32-2)12-15(20)14-25-26-23(28)18-6-4-5-7-19(18)27-34(29,30)17-10-8-16(24)9-11-17/h4-14,27H,1-3H3,(H,26,28)/b25-14+
InChIKey
NLOAKZMORSTYBN-AFUMVMLFSA-N
Compound name
2-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.0918 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.09908 216.1
[M+Na]+ 526.08102 222.5
[M-H]- 502.08452 227.3
[M+NH4]+ 521.12562 223.5
[M+K]+ 542.05496 217.9
[M+H-H2O]+ 486.08906 206.2
[M+HCOO]- 548.09000 232.6
[M+CH3COO]- 562.10565 245.3
[M+Na-2H]- 524.06647 218.9
[M]+ 503.09125 226.0
[M]- 503.09235 226.0
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.