CID 618628

4'-methyl fentanyl

Structural Information

Molecular Formula
C23H30N2O
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-7-5-4-6-8-21)22-14-17-24(18-15-22)16-13-20-11-9-19(2)10-12-20/h4-12,22H,3,13-18H2,1-2H3
InChIKey
AGSRCZOBGTWFFY-UHFFFAOYSA-N
Compound name
N-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.2358 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 188.8
[M+Na]+ 373.225018 190.6
[M-H]- 349.228524 196.5
[M+NH4]+ 368.269623 199.7
[M+K]+ 389.198958 186.1
[M+H-H2O]+ 333.233060 177.5
[M+HCOO]- 395.234001 206.5
[M+CH3COO]- 409.249651 220.3
[M+Na-2H]- 371.210466 188.5
[M]+ 350.23525142 185.6
[M]- 350.23634858 185.6
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

patents stripe