CID 968688

Methoxyacetylfentanyl

Structural Information

Molecular Formula
C22H28N2O2
SMILES
COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O2/c1-26-18-22(25)24(20-10-6-3-7-11-20)21-13-16-23(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-18H2,1H3
InChIKey
SADNVKRDSWWFTK-UHFFFAOYSA-N
Compound name
2-methoxy-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

352.2151 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.2
[M+Na]+ 375.20432 188.3
[M-H]- 351.20782 194.6
[M+NH4]+ 370.24892 197.6
[M+K]+ 391.17826 184.7
[M+H-H2O]+ 335.21236 175.7
[M+HCOO]- 397.21330 205.5
[M+CH3COO]- 411.22895 218.3
[M+Na-2H]- 373.18977 188.2
[M]+ 352.21455 184.6
[M]- 352.21565 184.6
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