CID 48916

O-benzoylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C23H27NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H27NO3/c1-18-10-7-8-15-24(18)16-9-17-27-23(26)21-14-6-5-13-20(21)22(25)19-11-3-2-4-12-19/h2-6,11-14,18H,7-10,15-17H2,1H3
InChIKey
XCVUSAHNJBRHSC-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.1991 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 190.4
[M+Na]+ 388.18832 192.6
[M-H]- 364.19182 196.8
[M+NH4]+ 383.23292 200.1
[M+K]+ 404.16226 188.1
[M+H-H2O]+ 348.19636 179.5
[M+HCOO]- 410.19730 206.1
[M+CH3COO]- 424.21295 216.3
[M+Na-2H]- 386.17377 189.3
[M]+ 365.19855 188.1
[M]- 365.19965 188.1
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.