CID 49038

P-butoxybenzoic acid 3-(3-methylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C20H31NO3
SMILES
CCCCOC1=CC=C(C=C1)C(=O)OCCCN2CCCC(C2)C
InChI
InChI=1S/C20H31NO3/c1-3-4-14-23-19-10-8-18(9-11-19)20(22)24-15-6-13-21-12-5-7-17(2)16-21/h8-11,17H,3-7,12-16H2,1-2H3
InChIKey
YZXJXZZRMFZXSR-UHFFFAOYSA-N
Compound name
3-(3-methylpiperidin-1-yl)propyl 4-butoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.23768 184.4
[M+Na]+ 356.21962 195.1
[M+NH4]+ 351.26422 190.9
[M+K]+ 372.19356 187.5
[M-H]- 332.22312 187.0
[M+Na-2H]- 354.20507 189.1
[M]+ 333.22985 186.4
[M]- 333.23095 186.4
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.