CID 9929090

Schembl5158262

Structural Information

Molecular Formula
C19H21F3N2O2
SMILES
C1CC(C(NC1)C2=CC=CC=C2)NCC3=C(C=CC(=C3)OC(F)(F)F)O
InChI
InChI=1S/C19H21F3N2O2/c20-19(21,22)26-15-8-9-17(25)14(11-15)12-24-16-7-4-10-23-18(16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16,18,23-25H,4,7,10,12H2
InChIKey
IZRHKURJIQCXMT-UHFFFAOYSA-N
Compound name
2-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-(trifluoromethoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

366.15552 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16280 184.4
[M+Na]+ 389.14474 188.5
[M-H]- 365.14824 185.1
[M+NH4]+ 384.18934 193.0
[M+K]+ 405.11868 181.7
[M+H-H2O]+ 349.15278 172.3
[M+HCOO]- 411.15372 196.2
[M+CH3COO]- 425.16937 212.2
[M+Na-2H]- 387.13019 185.8
[M]+ 366.15497 174.6
[M]- 366.15607 174.6
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

patents stripe