CID 118987274

Fentranyl

Structural Information

Molecular Formula
C23H28N2O
SMILES
CCC(=O)N(C1CCN(CC1)[C@@H]2C[C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N2O/c1-2-23(26)25(19-11-7-4-8-12-19)20-13-15-24(16-14-20)22-17-21(22)18-9-5-3-6-10-18/h3-12,20-22H,2,13-17H2,1H3/t21-,22+/m0/s1
InChIKey
YOKFXXJHMBYPRF-FCHUYYIVSA-N
Compound name
N-phenyl-N-[1-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 187.2
[M+Na]+ 371.20937 201.8
[M+NH4]+ 366.25397 196.3
[M+K]+ 387.18331 194.4
[M-H]- 347.21287 202.0
[M+Na-2H]- 369.19482 199.4
[M]+ 348.21960 194.7
[M]- 348.22070 194.7
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.