CID 124246

Iguratimod

Structural Information

Molecular Formula
C17H14N2O6S
SMILES
CS(=O)(=O)NC1=C(C=C2C(=C1)OC=C(C2=O)NC=O)OC3=CC=CC=C3
InChI
InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)
InChIKey
ANMATWQYLIFGOK-UHFFFAOYSA-N
Compound name
N-[7-(methanesulfonamido)-4-oxo-6-phenoxychromen-3-yl]formamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

38
References

3146
Patents

374.05725 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.06453 181.9
[M+Na]+ 397.04647 194.6
[M+NH4]+ 392.09107 187.5
[M+K]+ 413.02041 187.5
[M-H]- 373.04997 186.6
[M+Na-2H]- 395.03192 188.6
[M]+ 374.05670 185.4
[M]- 374.05780 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe