CID 3049156

Brn 1506164

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC(=O)C1(CCN(CC1)CC(COC2=CC=C(C=C2)N)O)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O3/c1-17(25)22(18-5-3-2-4-6-18)11-13-24(14-12-22)15-20(26)16-27-21-9-7-19(23)8-10-21/h2-10,20,26H,11-16,23H2,1H3
InChIKey
JGJMWWVEHNMPHK-UHFFFAOYSA-N
Compound name
1-[1-[3-(4-aminophenoxy)-2-hydroxypropyl]-4-phenylpiperidin-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.2
[M+Na]+ 391.19922 202.1
[M+NH4]+ 386.24382 198.9
[M+K]+ 407.17316 193.7
[M-H]- 367.20272 196.0
[M+Na-2H]- 389.18467 199.4
[M]+ 368.20945 194.0
[M]- 368.21055 194.0
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.