CID 62278

Beta-hydroxyfentanyl

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CCC(=O)N(C1CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(16-14-20)17-21(25)18-9-5-3-6-10-18/h3-12,20-21,25H,2,13-17H2,1H3
InChIKey
JEFVHLMGRUJLET-UHFFFAOYSA-N
Compound name
N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

260
Patents

352.2151 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.9
[M+Na]+ 375.20432 199.3
[M+NH4]+ 370.24892 195.1
[M+K]+ 391.17826 192.1
[M-H]- 351.20782 193.6
[M+Na-2H]- 373.18977 196.0
[M]+ 352.21455 191.0
[M]- 352.21565 191.0
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