CID 483803

335665-70-8

Structural Information

Molecular Formula
C18H22F3NO2
SMILES
CCCO[C@@](C#CC1CC1)(C2=CC(=C(NC2=O)C)CC)C(F)(F)F
InChI
InChI=1S/C18H22F3NO2/c1-4-10-24-17(18(19,20)21,9-8-13-6-7-13)15-11-14(5-2)12(3)22-16(15)23/h11,13H,4-7,10H2,1-3H3,(H,22,23)/t17-/m0/s1
InChIKey
UBFFGLYHUXZQTE-KRWDZBQOSA-N
Compound name
3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-propoxybut-3-yn-2-yl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.16028 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16756 170.4
[M+Na]+ 364.14950 184.8
[M-H]- 340.15300 171.3
[M+NH4]+ 359.19410 178.4
[M+K]+ 380.12344 175.4
[M+H-H2O]+ 324.15754 157.7
[M+HCOO]- 386.15848 181.2
[M+CH3COO]- 400.17413 216.0
[M+Na-2H]- 362.13495 172.7
[M]+ 341.15973 167.3
[M]- 341.16083 167.3
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.