CID 101454647

Ortho-fluorofentanyl

Structural Information

Molecular Formula
C22H27FN2O
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
InChI
InChI=1S/C22H27FN2O/c1-2-22(26)25(21-11-7-6-10-20(21)23)19-13-16-24(17-14-19)15-12-18-8-4-3-5-9-18/h3-11,19H,2,12-17H2,1H3
InChIKey
BKUWDIVZCJNXRA-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

354.21075 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21803 189.4
[M+Na]+ 377.19997 201.4
[M+NH4]+ 372.24457 196.7
[M+K]+ 393.17391 192.8
[M-H]- 353.20347 194.7
[M+Na-2H]- 375.18542 197.6
[M]+ 354.21020 192.5
[M]- 354.21130 192.5
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