CID 6366416

94094-59-4

Structural Information

Molecular Formula
C21H17NO4S
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C21H17NO4S/c23-20(13-11-16-7-3-1-4-8-16)19-15-17(12-14-21(19)24)22-27(25,26)18-9-5-2-6-10-18/h1-15,22,24H/b13-11+
InChIKey
WAGPHWCQZLAVCA-ACCUITESSA-N
Compound name
N-[4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.08783 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.095106 188.1
[M+Na]+ 402.077048 194.2
[M-H]- 378.080554 196.2
[M+NH4]+ 397.121653 198.4
[M+K]+ 418.050988 187.5
[M+H-H2O]+ 362.085090 179.1
[M+HCOO]- 424.086031 204.8
[M+CH3COO]- 438.101681 213.5
[M+Na-2H]- 400.062496 191.2
[M]+ 379.08728142 188.9
[M]- 379.08837858 188.9
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.