CID 13653684

3-furanylfentanyl

Structural Information

Molecular Formula
C24H26N2O2
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=COC=C3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H26N2O2/c27-24(21-14-18-28-19-21)26(22-9-5-2-6-10-22)23-12-16-25(17-13-23)15-11-20-7-3-1-4-8-20/h1-10,14,18-19,23H,11-13,15-17H2
InChIKey
AEDOTOMIDAMDFC-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

374.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.206706 191.5
[M+Na]+ 397.188648 193.1
[M-H]- 373.192154 203.0
[M+NH4]+ 392.233253 201.0
[M+K]+ 413.162588 189.7
[M+H-H2O]+ 357.196690 180.0
[M+HCOO]- 419.197631 210.2
[M+CH3COO]- 433.213281 200.0
[M+Na-2H]- 395.174096 191.5
[M]+ 374.19888142 188.4
[M]- 374.19997858 188.4
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