CID 137700067

Isovalerylfentanyl

Structural Information

Molecular Formula
C24H32N2O
SMILES
CC(C)CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O/c1-20(2)19-24(27)26(22-11-7-4-8-12-22)23-14-17-25(18-15-23)16-13-21-9-5-3-6-10-21/h3-12,20,23H,13-19H2,1-2H3
InChIKey
HQXKBEMWVAZFPK-UHFFFAOYSA-N
Compound name
3-methyl-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.25874 193.5
[M+Na]+ 387.24068 205.5
[M+NH4]+ 382.28528 201.3
[M+K]+ 403.21462 197.0
[M-H]- 363.24418 200.1
[M+Na-2H]- 385.22613 202.1
[M]+ 364.25091 197.1
[M]- 364.25201 197.1
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

No patent data available for this compound.