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

1
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

patents stripe