CID 62309

Alpha-methylthiofentanyl

Structural Information

Molecular Formula
C21H28N2OS
SMILES
CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C21H28N2OS/c1-3-21(24)23(18-8-5-4-6-9-18)19-11-13-22(14-12-19)17(2)16-20-10-7-15-25-20/h4-10,15,17,19H,3,11-14,16H2,1-2H3
InChIKey
YPOXDUYRRSUFFG-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

347
Patents

356.19223 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19951 188.0
[M+Na]+ 379.18145 190.1
[M-H]- 355.18495 196.2
[M+NH4]+ 374.22605 201.3
[M+K]+ 395.15539 186.3
[M+H-H2O]+ 339.18949 178.6
[M+HCOO]- 401.19043 201.5
[M+CH3COO]- 415.20608 217.4
[M+Na-2H]- 377.16690 183.6
[M]+ 356.19168 186.8
[M]- 356.19278 186.8
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

patents stripe