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 194.4
[M+Na]+ 413.16579 197.0
[M-H]- 389.16929 205.5
[M+NH4]+ 408.21039 205.7
[M+K]+ 429.13973 191.4
[M+H-H2O]+ 373.17383 183.9
[M+HCOO]- 435.17477 209.4
[M+CH3COO]- 449.19042 202.7
[M+Na-2H]- 411.15124 192.0
[M]+ 390.17602 192.1
[M]- 390.17712 192.1
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.