CID 124716

4-methoxymethylfentanyl

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)COC
InChI
InChI=1S/C24H32N2O2/c1-3-23(27)26(22-12-8-5-9-13-22)24(20-28-2)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3
InChIKey
GARXJOUQUSNOGK-UHFFFAOYSA-N
Compound name
N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

66
Patents

380.24637 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.253646 196.5
[M+Na]+ 403.235588 197.8
[M-H]- 379.239094 203.9
[M+NH4]+ 398.280193 207.8
[M+K]+ 419.209528 194.2
[M+H-H2O]+ 363.243630 185.0
[M+HCOO]- 425.244571 214.1
[M+CH3COO]- 439.260221 223.6
[M+Na-2H]- 401.221036 197.4
[M]+ 380.24582142 194.9
[M]- 380.24691858 194.9
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