CID 483805

335665-74-2

Structural Information

Molecular Formula
C19H24F3NO2
SMILES
CCCCO[C@@](C#CC1CC1)(C2=CC(=C(NC2=O)C)CC)C(F)(F)F
InChI
InChI=1S/C19H24F3NO2/c1-4-6-11-25-18(19(20,21)22,10-9-14-7-8-14)16-12-15(5-2)13(3)23-17(16)24/h12,14H,4-8,11H2,1-3H3,(H,23,24)/t18-/m0/s1
InChIKey
WSKKQJCILNSNFW-SFHVURJKSA-N
Compound name
3-[(2S)-2-butoxy-4-cyclopropyl-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

355.1759 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.18318 174.0
[M+Na]+ 378.16512 188.0
[M-H]- 354.16862 174.7
[M+NH4]+ 373.20972 181.5
[M+K]+ 394.13906 178.5
[M+H-H2O]+ 338.17316 161.2
[M+HCOO]- 400.17410 184.5
[M+CH3COO]- 414.18975 218.5
[M+Na-2H]- 376.15057 175.9
[M]+ 355.17535 171.2
[M]- 355.17645 171.2
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

No patent data available for this compound.