CID 122490062

Gdc-0334

Structural Information

Molecular Formula
C24H19F8N5O3S
SMILES
C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC3=CC(=NC=C3C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F)F
InChI
InChI=1S/C24H19F8N5O3S/c1-12-18(26)7-20(37(12)41(39,40)16-4-2-15(25)3-5-16)21(38)34-8-13-6-19(33-11-17(13)23(27,28)29)14-9-35-22(36-10-14)24(30,31)32/h2-6,9-12,18,20H,7-8H2,1H3,(H,34,38)/t12-,18+,20-/m0/s1
InChIKey
RGXNECXVRZKGGH-UOXRKKOCSA-N
Compound name
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methyl-N-[[5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

609.1081 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.11538 208.6
[M+Na]+ 632.09732 210.4
[M+NH4]+ 627.14192 206.7
[M+K]+ 648.07126 208.4
[M-H]- 608.10082 202.6
[M+Na-2H]- 630.08277 208.1
[M]+ 609.10755 206.8
[M]- 609.10865 206.8
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