CID 87348121

1214741-14-6

Structural Information

Molecular Formula
C20H19F6NO
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@](C=C)(C2=CC=CC=C2)N
InChI
InChI=1S/C20H19F6NO/c1-3-18(27,15-7-5-4-6-8-15)12-28-13(2)14-9-16(19(21,22)23)11-17(10-14)20(24,25)26/h3-11,13H,1,12,27H2,2H3/t13-,18-/m1/s1
InChIKey
LQKGNWSMSBNQMR-FZKQIMNGSA-N
Compound name
(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

403.1371 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.14438 195.1
[M+Na]+ 426.12632 199.4
[M+NH4]+ 421.17092 196.3
[M+K]+ 442.10026 195.0
[M-H]- 402.12982 189.7
[M+Na-2H]- 424.11177 196.1
[M]+ 403.13655 193.9
[M]- 403.13765 193.9
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

patents stripe