CID 137699952

Ortho-fluoro acrylfentanyl

Structural Information

Molecular Formula
C22H25FN2O
SMILES
C=CC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3F
InChI
InChI=1S/C22H25FN2O/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/h2-11,19H,1,12-17H2
InChIKey
ROBNYLIAYXEIFM-UHFFFAOYSA-N
Compound name
N-(2-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

352.1951 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20238 186.6
[M+Na]+ 375.18432 189.3
[M-H]- 351.18782 193.1
[M+NH4]+ 370.22892 197.3
[M+K]+ 391.15826 183.9
[M+H-H2O]+ 335.19236 174.6
[M+HCOO]- 397.19330 203.8
[M+CH3COO]- 411.20895 219.3
[M+Na-2H]- 373.16977 186.2
[M]+ 352.19455 181.4
[M]- 352.19565 181.4
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