CID 23582412

Fevipiprant

Structural Information

Molecular Formula
C19H17F3N2O4S
SMILES
CC1=C(C2=C(N1CC3=C(C=C(C=C3)S(=O)(=O)C)C(F)(F)F)N=CC=C2)CC(=O)O
InChI
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
InChIKey
GFPPXZDRVCSVNR-UHFFFAOYSA-N
Compound name
2-[2-methyl-1-[[4-methylsulfonyl-2-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

39
References

564
Patents

426.08612 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.09340 198.7
[M+Na]+ 449.07534 207.5
[M+NH4]+ 444.11994 201.1
[M+K]+ 465.04928 203.4
[M-H]- 425.07884 194.5
[M+Na-2H]- 447.06079 200.7
[M]+ 426.08557 198.9
[M]- 426.08667 198.9
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