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

1508
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 185.4
[M+Na]+ 403.10400 193.6
[M-H]- 379.10750 189.2
[M+NH4]+ 398.14860 197.4
[M+K]+ 419.07794 187.5
[M+H-H2O]+ 363.11204 173.5
[M+HCOO]- 425.11298 200.9
[M+CH3COO]- 439.12863 220.1
[M+Na-2H]- 401.08945 183.0
[M]+ 380.11423 179.2
[M]- 380.11533 179.2
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