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
2
Annotation Hits

0
References

232
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 185.5
[M+Na]+ 379.18145 195.5
[M+NH4]+ 374.22605 193.8
[M+K]+ 395.15539 188.2
[M-H]- 355.18495 191.4
[M+Na-2H]- 377.16690 192.7
[M]+ 356.19168 188.9
[M]- 356.19278 188.9
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