CID 88937150

Pmid25666693-compound-154

Structural Information

Molecular Formula
C21H16F6N2O4S
SMILES
C[C@H](C1=CC(=C(C(=C1)F)NS(=O)(=O)C)F)NC(=O)C2=CC=C(O2)C3=CC(=C(C=C3)F)C(F)(F)F
InChI
InChI=1S/C21H16F6N2O4S/c1-10(12-8-15(23)19(16(24)9-12)29-34(2,31)32)28-20(30)18-6-5-17(33-18)11-3-4-14(22)13(7-11)21(25,26)27/h3-10,29H,1-2H3,(H,28,30)/t10-/m1/s1
InChIKey
UERGSQUAPFQUKE-SNVBAGLBSA-N
Compound name
N-[(1R)-1-[3,5-difluoro-4-(methanesulfonamido)phenyl]ethyl]-5-[4-fluoro-3-(trifluoromethyl)phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

506.0735 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.08078 212.3
[M+Na]+ 529.06272 215.8
[M+NH4]+ 524.10732 212.1
[M+K]+ 545.03666 212.5
[M-H]- 505.06622 208.2
[M+Na-2H]- 527.04817 211.9
[M]+ 506.07295 211.4
[M]- 506.07405 211.4
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

patents stripe