CID 45054570

N-(2-(2-(3-(benzyloxy)benzylidene)hydrazino)-2-oxoethyl)benzenesulfonamide

Structural Information

Molecular Formula
C22H21N3O4S
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/NC(=O)CNS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H21N3O4S/c26-22(16-24-30(27,28)21-12-5-2-6-13-21)25-23-15-19-10-7-11-20(14-19)29-17-18-8-3-1-4-9-18/h1-15,24H,16-17H2,(H,25,26)/b23-15+
InChIKey
BUWWXYPLNWMTTR-HZHRSRAPSA-N
Compound name
2-(benzenesulfonamido)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.12527 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13255 198.0
[M+Na]+ 446.11449 201.8
[M-H]- 422.11799 207.9
[M+NH4]+ 441.15909 206.8
[M+K]+ 462.08843 196.5
[M+H-H2O]+ 406.12253 187.2
[M+HCOO]- 468.12347 219.1
[M+CH3COO]- 482.13912 229.4
[M+Na-2H]- 444.09994 203.7
[M]+ 423.12472 200.7
[M]- 423.12582 200.7
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.