CID 71600087

Mivebresib

Structural Information

Molecular Formula
C22H19F2N3O4S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C
InChI
InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
InChIKey
RDONXGFGWSSFMY-UHFFFAOYSA-N
Compound name
N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

1621
Patents

459.10645 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.11373 207.1
[M+Na]+ 482.09567 219.8
[M+NH4]+ 477.14027 211.0
[M+K]+ 498.06961 213.3
[M-H]- 458.09917 208.3
[M+Na-2H]- 480.08112 212.9
[M]+ 459.10590 209.5
[M]- 459.10700 209.5
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