CID 21595404

Thenylfentanyl

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CCC(=O)N(C1CCN(CC1)CC2=CC=CS2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2OS/c1-2-19(22)21(16-7-4-3-5-8-16)17-10-12-20(13-11-17)15-18-9-6-14-23-18/h3-9,14,17H,2,10-13,15H2,1H3
InChIKey
JSOSWRYHPGIWGT-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

328.16095 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16823 179.2
[M+Na]+ 351.15017 182.6
[M-H]- 327.15367 187.8
[M+NH4]+ 346.19477 193.8
[M+K]+ 367.12411 178.6
[M+H-H2O]+ 311.15821 170.0
[M+HCOO]- 373.15915 194.5
[M+CH3COO]- 387.17480 210.7
[M+Na-2H]- 349.13562 176.8
[M]+ 328.16040 177.9
[M]- 328.16150 177.9
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

No patent data available for this compound.