CID 62300

P-fluorofentanyl

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

16
References

263
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

literature stripe

Patent stripe

patents stripe