CID 62281

Alpha-methylfentanyl

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
InChIKey
NGTVDHYUFBKWID-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(1-phenylpropan-2-yl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

459
Patents

350.2358 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.24308 189.1
[M+Na]+ 373.22502 201.3
[M+NH4]+ 368.26962 197.0
[M+K]+ 389.19896 193.0
[M-H]- 349.22852 195.7
[M+Na-2H]- 371.21047 197.9
[M]+ 350.23525 192.7
[M]- 350.23635 192.7
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