CID 6451051

335665-48-0

Structural Information

Molecular Formula
C19H18F3NO2
SMILES
C1CC1/C=C/[C@](C2=CC=CNC2=O)(C(F)(F)F)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18F3NO2/c20-19(21,22)18(11-10-14-8-9-14,16-7-4-12-23-17(16)24)25-13-15-5-2-1-3-6-15/h1-7,10-12,14H,8-9,13H2,(H,23,24)/b11-10+/t18-/m0/s1
InChIKey
MCBDKUVEATYQOO-ZGKFYVQTSA-N
Compound name
3-[(E,2S)-4-cyclopropyl-1,1,1-trifluoro-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.12897 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13625 174.6
[M+Na]+ 372.11819 182.5
[M-H]- 348.12169 177.7
[M+NH4]+ 367.16279 180.7
[M+K]+ 388.09213 175.5
[M+H-H2O]+ 332.12623 163.5
[M+HCOO]- 394.12717 189.7
[M+CH3COO]- 408.14282 209.0
[M+Na-2H]- 370.10364 179.2
[M]+ 349.12842 172.4
[M]- 349.12952 172.4
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

No patent data available for this compound.