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

1506
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

No literature data available for this compound.

Patent stripe

patents stripe