CID 51060939

N-(4-((2-(2-(benzyloxy)-5-bromobenzylidene)hydrazino)carbonyl)phenyl)-4-chlorobenzenesulfonamide

Structural Information

Molecular Formula
C27H21BrClN3O4S
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H21BrClN3O4S/c28-22-8-15-26(36-18-19-4-2-1-3-5-19)21(16-22)17-30-31-27(33)20-6-11-24(12-7-20)32-37(34,35)25-13-9-23(29)10-14-25/h1-17,32H,18H2,(H,31,33)/b30-17+
InChIKey
NSOCUQUTEYYFMQ-OCSSWDANSA-N
Compound name
N-[(E)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.01245 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.01973 220.7
[M+Na]+ 620.00167 228.7
[M-H]- 596.00517 235.4
[M+NH4]+ 615.04627 227.8
[M+K]+ 635.97561 214.4
[M+H-H2O]+ 580.00971 215.9
[M+HCOO]- 642.01065 234.4
[M+CH3COO]- 656.02630 252.2
[M+Na-2H]- 617.98712 225.7
[M]+ 597.01190 243.9
[M]- 597.01300 243.9
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.