CID 71771973

Nimesulide impurity f

Structural Information

Molecular Formula
C14H14N2O7S2
SMILES
CS(=O)(=O)N(C1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2)S(=O)(=O)C
InChI
InChI=1S/C14H14N2O7S2/c1-24(19,20)16(25(2,21)22)13-9-8-11(15(17)18)10-14(13)23-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKey
DGTALLPFLVLCNQ-UHFFFAOYSA-N
Compound name
N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.02423 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.03151 182.4
[M+Na]+ 409.01345 187.3
[M-H]- 385.01695 189.7
[M+NH4]+ 404.05805 192.6
[M+K]+ 424.98739 179.7
[M+H-H2O]+ 369.02149 178.2
[M+HCOO]- 431.02243 196.4
[M+CH3COO]- 445.03808 209.4
[M+Na-2H]- 406.99890 190.4
[M]+ 386.02368 185.5
[M]- 386.02478 185.5
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.