CID 137700027

Thiofuranylfentanyl

Structural Information

Molecular Formula
C24H26N2OS
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CS3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H26N2OS/c27-24(23-12-7-19-28-23)26(21-10-5-2-6-11-21)22-14-17-25(18-15-22)16-13-20-8-3-1-4-9-20/h1-12,19,22H,13-18H2
InChIKey
CCHPKGYUIHSQIE-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

390.17657 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18385 192.6
[M+Na]+ 413.16579 205.4
[M+NH4]+ 408.21039 201.7
[M+K]+ 429.13973 196.1
[M-H]- 389.16929 201.4
[M+Na-2H]- 411.15124 203.5
[M]+ 390.17602 197.4
[M]- 390.17712 197.4
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

No patent data available for this compound.