CID 483800

335665-64-0

Structural Information

Molecular Formula
C23H18F3NO2
SMILES
C1CC1C#C[C@](C2=CC3=CC=CC=C3NC2=O)(C(F)(F)F)OCC4=CC=CC=C4
InChI
InChI=1S/C23H18F3NO2/c24-23(25,26)22(13-12-16-10-11-16,29-15-17-6-2-1-3-7-17)19-14-18-8-4-5-9-20(18)27-21(19)28/h1-9,14,16H,10-11,15H2,(H,27,28)/t22-/m0/s1
InChIKey
BWWRQIOZJFXZDA-QFIPXVFZSA-N
Compound name
3-[(2S)-4-cyclopropyl-1,1,1-trifluoro-2-phenylmethoxybut-3-yn-2-yl]-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.12897 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.13625 190.9
[M+Na]+ 420.11819 205.6
[M-H]- 396.12169 193.5
[M+NH4]+ 415.16279 196.6
[M+K]+ 436.09213 192.4
[M+H-H2O]+ 380.12623 176.5
[M+HCOO]- 442.12717 200.8
[M+CH3COO]- 456.14282 222.1
[M+Na-2H]- 418.10364 195.2
[M]+ 397.12842 185.1
[M]- 397.12952 185.1
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.