CID 45055129

4-cl-n-(2-((2-(2-cl-5-nitrobenzylidene)hydrazino)carbonyl)ph)benzenesulfonamide

Structural Information

Molecular Formula
C20H14Cl2N4O5S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H14Cl2N4O5S/c21-14-5-8-16(9-6-14)32(30,31)25-19-4-2-1-3-17(19)20(27)24-23-12-13-11-15(26(28)29)7-10-18(13)22/h1-12,25H,(H,24,27)/b23-12+
InChIKey
LTUYDEZNNNFAKS-FSJBWODESA-N
Compound name
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.0062 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.01348 209.4
[M+Na]+ 514.99542 213.9
[M-H]- 490.99892 219.2
[M+NH4]+ 510.04002 216.2
[M+K]+ 530.96936 203.7
[M+H-H2O]+ 475.00346 205.4
[M+HCOO]- 537.00440 221.9
[M+CH3COO]- 551.02005 232.8
[M+Na-2H]- 512.98087 214.9
[M]+ 492.00565 213.3
[M]- 492.00675 213.3
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.