CID 49064

P-heptyloxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C23H37NO3
SMILES
CCCCCCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2C
InChI
InChI=1S/C23H37NO3/c1-3-4-5-6-9-18-26-22-14-12-21(13-15-22)23(25)27-19-10-17-24-16-8-7-11-20(24)2/h12-15,20H,3-11,16-19H2,1-2H3
InChIKey
WLYSBBXFKSCFQY-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-heptoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.27734 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.28462 197.6
[M+Na]+ 398.26656 207.7
[M+NH4]+ 393.31116 203.6
[M+K]+ 414.24050 199.4
[M-H]- 374.27006 200.1
[M+Na-2H]- 396.25201 201.5
[M]+ 375.27679 199.6
[M]- 375.27789 199.6
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.