CID 615726

.alpha.-methyl acetyl fentanyl

Structural Information

Molecular Formula
C22H28N2O
SMILES
CC(CN1CCC(CC1)N(C2=CC=CC=C2)C(=O)C)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O/c1-18(20-9-5-3-6-10-20)17-23-15-13-22(14-16-23)24(19(2)25)21-11-7-4-8-12-21/h3-12,18,22H,13-17H2,1-2H3
InChIKey
MDRBZPCJVBUXSG-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylpropyl)piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.227426 183.9
[M+Na]+ 359.209368 184.9
[M-H]- 335.212874 191.5
[M+NH4]+ 354.253973 195.1
[M+K]+ 375.183308 181.2
[M+H-H2O]+ 319.217410 172.9
[M+HCOO]- 381.218351 201.0
[M+CH3COO]- 395.234001 217.1
[M+Na-2H]- 357.194816 183.8
[M]+ 336.21960142 179.5
[M]- 336.22069858 179.5
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.