CID 58726

1-(trans-2-phenylcyclopropylcarbonyl)-4-anilinopiperidine hydrochloride

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CN(CCC1NC2=CC=CC=C2)C(=O)C3CC3C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c24-21(20-15-19(20)16-7-3-1-4-8-16)23-13-11-18(12-14-23)22-17-9-5-2-6-10-17/h1-10,18-20,22H,11-15H2
InChIKey
WDHJFGYRFWYQFS-UHFFFAOYSA-N
Compound name
(4-anilinopiperidin-1-yl)-(2-phenylcyclopropyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 173.9
[M+Na]+ 343.17809 178.5
[M-H]- 319.18159 184.0
[M+NH4]+ 338.22269 180.9
[M+K]+ 359.15203 173.1
[M+H-H2O]+ 303.18613 163.8
[M+HCOO]- 365.18707 193.0
[M+CH3COO]- 379.20272 182.8
[M+Na-2H]- 341.16354 176.2
[M]+ 320.18832 170.1
[M]- 320.18942 170.1
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.