CID 62279

Ohmefentanyl

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCC(=O)N(C1CCN(CC1C)CC(C2=CC=CC=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3
InChIKey
FRPRNNRJTCONEC-UHFFFAOYSA-N
Compound name
N-[1-(2-hydroxy-2-phenylethyl)-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

67
References

418
Patents

366.23074 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 191.4
[M+Na]+ 389.21996 192.4
[M-H]- 365.22346 197.9
[M+NH4]+ 384.26456 200.9
[M+K]+ 405.19390 188.4
[M+H-H2O]+ 349.22800 180.7
[M+HCOO]- 411.22894 206.9
[M+CH3COO]- 425.24459 220.9
[M+Na-2H]- 387.20541 189.8
[M]+ 366.23019 187.4
[M]- 366.23129 187.4
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