CID 124107648

Tetflupyrolimet

Structural Information

Molecular Formula
C19H16F4N2O2
SMILES
CN1C[C@@H]([C@H](C1=O)C(=O)NC2=CC=CC=C2F)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C19H16F4N2O2/c1-25-10-13(11-5-4-6-12(9-11)19(21,22)23)16(18(25)27)17(26)24-15-8-3-2-7-14(15)20/h2-9,13,16H,10H2,1H3,(H,24,26)/t13-,16+/m1/s1
InChIKey
QQDYOLJZDUADHV-CJNGLKHVSA-N
Compound name
(3S,4S)-N-(2-fluorophenyl)-1-methyl-2-oxo-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1505
Patents

380.11478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12206 190.9
[M+Na]+ 403.10400 198.2
[M+NH4]+ 398.14860 193.9
[M+K]+ 419.07794 194.4
[M-H]- 379.10750 188.8
[M+Na-2H]- 401.08945 193.7
[M]+ 380.11423 190.9
[M]- 380.11533 190.9
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