CID 3345

Fentanyl

Structural Information

Molecular Formula
C22H28N2O
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKey
PJMPHNIQZUBGLI-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

20259
References

77979
Patents

336.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 185.3
[M+Na]+ 359.20937 198.1
[M+NH4]+ 354.25397 193.6
[M+K]+ 375.18331 189.2
[M-H]- 335.21287 192.2
[M+Na-2H]- 357.19482 194.8
[M]+ 336.21960 189.1
[M]- 336.22070 189.1
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