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

2
Patents

374.19943 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 191.5
[M+Na]+ 397.18865 193.1
[M-H]- 373.19215 203.0
[M+NH4]+ 392.23325 201.0
[M+K]+ 413.16259 189.7
[M+H-H2O]+ 357.19669 180.0
[M+HCOO]- 419.19763 210.2
[M+CH3COO]- 433.21328 200.0
[M+Na-2H]- 395.17410 191.5
[M]+ 374.19888 188.4
[M]- 374.19998 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