CID 86174746

N-acetylnimesulide m2 (m5)

Structural Information

Molecular Formula
C15H16N2O5S
SMILES
CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C)OC2=CC=C(C=C2)O
InChI
InChI=1S/C15H16N2O5S/c1-10(18)16-11-3-8-14(17-23(2,20)21)15(9-11)22-13-6-4-12(19)5-7-13/h3-9,17,19H,1-2H3,(H,16,18)
InChIKey
GBAQPWOBYJFEMK-UHFFFAOYSA-N
Compound name
N-[3-(4-hydroxyphenoxy)-4-(methanesulfonamido)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

336.078 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08528 173.6
[M+Na]+ 359.06722 180.2
[M-H]- 335.07072 179.3
[M+NH4]+ 354.11182 186.1
[M+K]+ 375.04116 176.4
[M+H-H2O]+ 319.07526 165.7
[M+HCOO]- 381.07620 191.7
[M+CH3COO]- 395.09185 209.0
[M+Na-2H]- 357.05267 177.2
[M]+ 336.07745 176.7
[M]- 336.07855 176.7
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.