CID 48253

Diphenylacetic acid 3-(1-methyl-2-piperidyl)propyl ester hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
CN1CCCCC1CCCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-24-17-9-8-15-21(24)16-10-18-26-23(25)22(19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-7,11-14,21-22H,8-10,15-18H2,1H3
InChIKey
OOGOZLZYRWPJOB-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-2-yl)propyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.5
[M+Na]+ 374.20904 189.7
[M-H]- 350.21254 194.5
[M+NH4]+ 369.25364 198.7
[M+K]+ 390.18298 185.0
[M+H-H2O]+ 334.21708 177.5
[M+HCOO]- 396.21802 203.9
[M+CH3COO]- 410.23367 213.8
[M+Na-2H]- 372.19449 188.0
[M]+ 351.21927 185.1
[M]- 351.22037 185.1
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.