CID 45129

Diphenylacetic acid, 4-n-butylpiperidyl ester hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCCCN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-2-3-16-24-17-14-21(15-18-24)26-23(25)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22H,2-3,14-18H2,1H3
InChIKey
VPDQGZZGJCORQO-UHFFFAOYSA-N
Compound name
(1-butylpiperidin-4-yl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 189.2
[M+Na]+ 374.20904 202.0
[M+NH4]+ 369.25364 196.9
[M+K]+ 390.18298 193.3
[M-H]- 350.21254 194.8
[M+Na-2H]- 372.19449 197.6
[M]+ 351.21927 192.6
[M]- 351.22037 192.6
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.