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
3
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 193.0
[M+Na]+ 387.24068 193.4
[M-H]- 363.24418 200.0
[M+NH4]+ 382.28528 203.0
[M+K]+ 403.21462 188.7
[M+H-H2O]+ 347.24872 181.3
[M+HCOO]- 409.24966 210.4
[M+CH3COO]- 423.26531 222.1
[M+Na-2H]- 385.22613 192.9
[M]+ 364.25091 189.7
[M]- 364.25201 189.7
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