CID 156337168

Lph-5

Structural Information

Molecular Formula
C14H18F3NO2
SMILES
COC1=CC(=C(C=C1[C@@H]2CCCNC2)OC)C(F)(F)F
InChI
InChI=1S/C14H18F3NO2/c1-19-12-7-11(14(15,16)17)13(20-2)6-10(12)9-4-3-5-18-8-9/h6-7,9,18H,3-5,8H2,1-2H3/t9-/m1/s1
InChIKey
NZKYTYHIERLZBG-SECBINFHSA-N
Compound name
(3S)-3-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

289.12897 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13625 165.2
[M+Na]+ 312.11819 171.7
[M-H]- 288.12169 164.7
[M+NH4]+ 307.16279 178.8
[M+K]+ 328.09213 167.5
[M+H-H2O]+ 272.12623 155.1
[M+HCOO]- 334.12717 178.0
[M+CH3COO]- 348.14282 198.6
[M+Na-2H]- 310.10364 166.6
[M]+ 289.12842 158.7
[M]- 289.12952 158.7
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