CID 51060871

4-chloro-n-(2-((2-(2-((4-chlorobenzyl)oxy)benzylidene)hydrazino)carbonyl)phenyl)benzenesulfonamide

Structural Information

Molecular Formula
C27H21Cl2N3O4S
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H21Cl2N3O4S/c28-21-11-9-19(10-12-21)18-36-26-8-4-1-5-20(26)17-30-31-27(33)24-6-2-3-7-25(24)32-37(34,35)23-15-13-22(29)14-16-23/h1-17,32H,18H2,(H,31,33)/b30-17+
InChIKey
GHZHMYYTRMQOMY-OCSSWDANSA-N
Compound name
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.063 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.07028 227.8
[M+Na]+ 576.05222 234.1
[M-H]- 552.05572 240.5
[M+NH4]+ 571.09682 233.2
[M+K]+ 592.02616 226.4
[M+H-H2O]+ 536.06026 217.5
[M+HCOO]- 598.06120 239.0
[M+CH3COO]- 612.07685 250.4
[M+Na-2H]- 574.03767 230.7
[M]+ 553.06245 235.2
[M]- 553.06355 235.2
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.