CID 6451052

335665-50-4

Structural Information

Molecular Formula
C22H18F3NO2
SMILES
C1=CC=C(C=C1)CO[C@@](/C=C/C2=CC=CC=C2)(C3=CC=CNC3=O)C(F)(F)F
InChI
InChI=1S/C22H18F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,26,27)/b14-13+/t21-/m0/s1
InChIKey
SRJQGWRGTNXGQP-ARKBFRDHSA-N
Compound name
3-[(E,2S)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.12897 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.13625 190.7
[M+Na]+ 408.11819 197.0
[M-H]- 384.12169 193.0
[M+NH4]+ 403.16279 199.2
[M+K]+ 424.09213 189.0
[M+H-H2O]+ 368.12623 178.1
[M+HCOO]- 430.12717 204.8
[M+CH3COO]- 444.14282 213.3
[M+Na-2H]- 406.10364 195.3
[M]+ 385.12842 185.6
[M]- 385.12952 185.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.