CID 16663677

N-acetylnimesulide m2 (m4)

Structural Information

Molecular Formula
C15H16N2O4S
SMILES
CC(=O)NC1=CC(=C(C=C1)NS(=O)(=O)C)OC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O4S/c1-11(18)16-12-8-9-14(17-22(2,19)20)15(10-12)21-13-6-4-3-5-7-13/h3-10,17H,1-2H3,(H,16,18)
InChIKey
OAQWJFJWRYTAEB-UHFFFAOYSA-N
Compound name
N-[4-(methanesulfonamido)-3-phenoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.08307 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.09035 170.9
[M+Na]+ 343.07229 177.5
[M-H]- 319.07579 177.7
[M+NH4]+ 338.11689 184.7
[M+K]+ 359.04623 173.7
[M+H-H2O]+ 303.08033 162.8
[M+HCOO]- 365.08127 190.4
[M+CH3COO]- 379.09692 207.7
[M+Na-2H]- 341.05774 175.2
[M]+ 320.08252 174.1
[M]- 320.08362 174.1
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.