CID 126682248

Cyclopentyl fentanyl

Structural Information

Molecular Formula
C25H32N2O
SMILES
C1CCC(C1)C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H32N2O/c28-25(22-11-7-8-12-22)27(23-13-5-2-6-14-23)24-16-19-26(20-17-24)18-15-21-9-3-1-4-10-21/h1-6,9-10,13-14,22,24H,7-8,11-12,15-20H2
InChIKey
PEASFKSPITUZGT-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

376.25146 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.25874 194.2
[M+Na]+ 399.24068 193.1
[M-H]- 375.24418 204.0
[M+NH4]+ 394.28528 204.8
[M+K]+ 415.21462 188.3
[M+H-H2O]+ 359.24872 182.3
[M+HCOO]- 421.24966 210.4
[M+CH3COO]- 435.26531 201.2
[M+Na-2H]- 397.22613 191.0
[M]+ 376.25091 186.5
[M]- 376.25201 186.5
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