CID 49027

4-butoxy-2-hydroxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCCCOC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2C)O
InChI
InChI=1S/C20H31NO4/c1-3-4-13-24-17-9-10-18(19(22)15-17)20(23)25-14-7-12-21-11-6-5-8-16(21)2/h9-10,15-16,22H,3-8,11-14H2,1-2H3
InChIKey
IOZYPUGSLRWYRF-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-butoxy-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 187.2
[M+Na]+ 372.21452 190.0
[M-H]- 348.21802 189.5
[M+NH4]+ 367.25912 198.0
[M+K]+ 388.18846 186.7
[M+H-H2O]+ 332.22256 178.0
[M+HCOO]- 394.22350 202.3
[M+CH3COO]- 408.23915 212.2
[M+Na-2H]- 370.19997 185.4
[M]+ 349.22475 188.2
[M]- 349.22585 188.2
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.