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 191.5
[M+Na]+ 426.12632 198.2
[M-H]- 402.12982 189.6
[M+NH4]+ 421.17092 201.6
[M+K]+ 442.10026 192.0
[M+H-H2O]+ 386.13436 178.9
[M+HCOO]- 448.13530 202.2
[M+CH3COO]- 462.15095 225.0
[M+Na-2H]- 424.11177 191.9
[M]+ 403.13655 182.8
[M]- 403.13765 182.8
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