CID 483804

335665-72-0

Structural Information

Molecular Formula
C19H22F3NO2
SMILES
CCC1=C(NC(=O)C(=C1)[C@@](C#CC2CC2)(C(F)(F)F)OCC3CC3)C
InChI
InChI=1S/C19H22F3NO2/c1-3-15-10-16(17(24)23-12(15)2)18(19(20,21)22,9-8-13-4-5-13)25-11-14-6-7-14/h10,13-14H,3-7,11H2,1-2H3,(H,23,24)/t18-/m0/s1
InChIKey
DWVSHPRSOSSELY-SFHVURJKSA-N
Compound name
3-[(2S)-4-cyclopropyl-2-(cyclopropylmethoxy)-1,1,1-trifluorobut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.16028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16756 170.9
[M+Na]+ 376.14950 186.6
[M-H]- 352.15300 175.5
[M+NH4]+ 371.19410 174.8
[M+K]+ 392.12344 175.9
[M+H-H2O]+ 336.15754 161.8
[M+HCOO]- 398.15848 181.9
[M+CH3COO]- 412.17413 222.2
[M+Na-2H]- 374.13495 173.3
[M]+ 353.15973 170.4
[M]- 353.16083 170.4
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.