CID 62380

Thiofentanyl

Structural Information

Molecular Formula
C20H26N2OS
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2OS/c1-2-20(23)22(17-7-4-3-5-8-17)18-10-13-21(14-11-18)15-12-19-9-6-16-24-19/h3-9,16,18H,2,10-15H2,1H3
InChIKey
YMRFZDHYDKZXPA-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

378
Patents

342.17657 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18385 183.5
[M+Na]+ 365.16579 186.4
[M-H]- 341.16929 191.9
[M+NH4]+ 360.21039 197.5
[M+K]+ 381.13973 182.3
[M+H-H2O]+ 325.17383 174.1
[M+HCOO]- 387.17477 198.5
[M+CH3COO]- 401.19042 213.6
[M+Na-2H]- 363.15124 180.6
[M]+ 342.17602 182.6
[M]- 342.17712 182.6
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