CID 165361586

2',5'-dimethoxyfentanyl

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O3/c1-4-24(27)26(20-8-6-5-7-9-20)21-13-16-25(17-14-21)15-12-19-18-22(28-2)10-11-23(19)29-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKey
SAQRGDVCSASPSH-UHFFFAOYSA-N
Compound name
N-[1-[2-(2,5-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 199.4
[M+Na]+ 419.23052 201.3
[M-H]- 395.23402 207.3
[M+NH4]+ 414.27512 208.5
[M+K]+ 435.20446 198.2
[M+H-H2O]+ 379.23856 187.7
[M+HCOO]- 441.23950 217.1
[M+CH3COO]- 455.25515 228.6
[M+Na-2H]- 417.21597 198.0
[M]+ 396.24075 199.8
[M]- 396.24185 199.8
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.