CID 21595398

Valerylfentanyl

Structural Information

Molecular Formula
C24H32N2O
SMILES
CCCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O/c1-2-3-14-24(27)26(22-12-8-5-9-13-22)23-16-19-25(20-17-23)18-15-21-10-6-4-7-11-21/h4-13,23H,2-3,14-20H2,1H3
InChIKey
VCCPXHWAJYWQMR-UHFFFAOYSA-N
Compound name
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

75
Patents

364.25146 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 194.3
[M+Na]+ 387.24068 206.6
[M+NH4]+ 382.28528 202.2
[M+K]+ 403.21462 197.2
[M-H]- 363.24418 201.1
[M+Na-2H]- 385.22613 203.1
[M]+ 364.25091 197.9
[M]- 364.25201 197.9
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