CID 47406

Brn 1691850

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)OCC(CN2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H28N2O3/c1-17(25)23-20-7-9-22(10-8-20)27-16-21(26)15-24-13-11-19(12-14-24)18-5-3-2-4-6-18/h2-10,19,21,26H,11-16H2,1H3,(H,23,25)
InChIKey
UUBCFFXJYYLANK-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 189.8
[M+Na]+ 391.19922 190.9
[M-H]- 367.20272 195.0
[M+NH4]+ 386.24382 198.5
[M+K]+ 407.17316 186.5
[M+H-H2O]+ 351.20726 179.2
[M+HCOO]- 413.20820 205.4
[M+CH3COO]- 427.22385 216.9
[M+Na-2H]- 389.18467 189.6
[M]+ 368.20945 185.6
[M]- 368.21055 185.6
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.