CID 49066

P-hexyloxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C23H37NO3
SMILES
CCCCCCOC1=CC=C(C=C1)C(=O)OCCCN2C(CCCC2C)C
InChI
InChI=1S/C23H37NO3/c1-4-5-6-7-17-26-22-14-12-21(13-15-22)23(25)27-18-9-16-24-19(2)10-8-11-20(24)3/h12-15,19-20H,4-11,16-18H2,1-3H3
InChIKey
UJWNPUVOEIDHPH-UHFFFAOYSA-N
Compound name
3-(2,6-dimethylpiperidin-1-yl)propyl 4-hexoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.27734 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.28462 197.5
[M+Na]+ 398.26656 199.6
[M-H]- 374.27006 200.6
[M+NH4]+ 393.31116 208.1
[M+K]+ 414.24050 195.8
[M+H-H2O]+ 358.27460 187.6
[M+HCOO]- 420.27554 212.9
[M+CH3COO]- 434.29119 221.4
[M+Na-2H]- 396.25201 194.5
[M]+ 375.27679 200.0
[M]- 375.27789 200.0
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.