CID 117072582

Beta-hydroxythiofentanyl

Structural Information

Molecular Formula
C20H26N2O2S
SMILES
CCC(=O)N(C1CCN(CC1)CC(C2=CC=CS2)O)C3=CC=CC=C3
InChI
InChI=1S/C20H26N2O2S/c1-2-20(24)22(16-7-4-3-5-8-16)17-10-12-21(13-11-17)15-18(23)19-9-6-14-25-19/h3-9,14,17-18,23H,2,10-13,15H2,1H3
InChIKey
GLAAETOTOUGGSB-UHFFFAOYSA-N
Compound name
N-[1-(2-hydroxy-2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

358.1715 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17878 186.3
[M+Na]+ 381.16072 188.2
[M-H]- 357.16422 193.4
[M+NH4]+ 376.20532 198.8
[M+K]+ 397.13466 184.4
[M+H-H2O]+ 341.16876 177.4
[M+HCOO]- 403.16970 199.0
[M+CH3COO]- 417.18535 214.1
[M+Na-2H]- 379.14617 182.4
[M]+ 358.17095 184.4
[M]- 358.17205 184.4
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