CID 13653606

Furanylfentanyl

Structural Information

Molecular Formula
C24H26N2O2
SMILES
C1CN(CCC1N(C2=CC=CC=C2)C(=O)C3=CC=CO3)CCC4=CC=CC=C4
InChI
InChI=1S/C24H26N2O2/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
FZJVHWISUGFFQV-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

110
Patents

374.19943 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe