CID 137700047

Para-fluoro valeryl fentanyl

Structural Information

Molecular Formula
C24H31FN2O
SMILES
CCCCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H31FN2O/c1-2-3-9-24(28)27(22-12-10-21(25)11-13-22)23-15-18-26(19-16-23)17-14-20-7-5-4-6-8-20/h4-8,10-13,23H,2-3,9,14-19H2,1H3
InChIKey
LRGKRSJHHVAEAD-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

382.24203 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.249306 196.7
[M+Na]+ 405.231248 198.1
[M-H]- 381.234754 202.7
[M+NH4]+ 400.275853 206.2
[M+K]+ 421.205188 192.9
[M+H-H2O]+ 365.239290 184.2
[M+HCOO]- 427.240231 213.0
[M+CH3COO]- 441.255881 225.9
[M+Na-2H]- 403.216696 195.2
[M]+ 382.24148142 192.8
[M]- 382.24257858 192.8
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.