CID 51060975

N-(4-((2-(2-(benzyloxy)benzylidene)hydrazino)carbonyl)phenyl)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C27H22ClN3O4S
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H22ClN3O4S/c28-23-12-16-25(17-13-23)36(33,34)31-24-14-10-21(11-15-24)27(32)30-29-18-22-8-4-5-9-26(22)35-19-20-6-2-1-3-7-20/h1-18,31H,19H2,(H,30,32)/b29-18+
InChIKey
XIJWREXCYRBXQD-RDRPBHBLSA-N
Compound name
4-[(4-chlorophenyl)sulfonylamino]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.1019 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.10918 222.0
[M+Na]+ 542.09112 227.2
[M-H]- 518.09462 235.0
[M+NH4]+ 537.13572 227.8
[M+K]+ 558.06506 219.9
[M+H-H2O]+ 502.09916 210.8
[M+HCOO]- 564.10010 238.1
[M+CH3COO]- 578.11575 245.9
[M+Na-2H]- 540.07657 226.2
[M]+ 519.10135 227.1
[M]- 519.10245 227.1
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.