CID 293189

Nsc159522

Structural Information

Molecular Formula
C16H18N2O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCO)C2=CC=CC=C2
InChI
InChI=1S/C16H18N2O4S/c1-13(20)17-14-7-9-16(10-8-14)23(21,22)18(11-12-19)15-5-3-2-4-6-15/h2-10,19H,11-12H2,1H3,(H,17,20)
InChIKey
SPQZPSYNUOPUOO-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxyethyl(phenyl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.09872 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.105996 175.2
[M+Na]+ 357.087938 180.1
[M-H]- 333.091444 181.5
[M+NH4]+ 352.132543 188.0
[M+K]+ 373.061878 176.7
[M+H-H2O]+ 317.095980 166.9
[M+HCOO]- 379.096921 193.4
[M+CH3COO]- 393.112571 210.3
[M+Na-2H]- 355.073386 178.7
[M]+ 334.09817142 177.7
[M]- 334.09926858 177.7
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.