CID 60575

Ocfentanil

Structural Information

Molecular Formula
C22H27FN2O2
SMILES
COCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
InChI
InChI=1S/C22H27FN2O2/c1-27-17-22(26)25(21-10-6-5-9-20(21)23)19-12-15-24(16-13-19)14-11-18-7-3-2-4-8-18/h2-10,19H,11-17H2,1H3
InChIKey
NYISTOZKVCMVEL-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

249
Patents

370.20566 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.21294 190.8
[M+Na]+ 393.19488 193.0
[M-H]- 369.19838 197.2
[M+NH4]+ 388.23948 200.7
[M+K]+ 409.16882 188.9
[M+H-H2O]+ 353.20292 178.5
[M+HCOO]- 415.20386 208.0
[M+CH3COO]- 429.21951 222.1
[M+Na-2H]- 391.18033 190.4
[M]+ 370.20511 187.6
[M]- 370.20621 187.6
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