CID 116250

2,3-dimethoxybenzoic acid 2-piperidinoethyl ester hydrochloride

Structural Information

Molecular Formula
C16H23NO4
SMILES
CCCCC=NCCOC(=O)C1=C(C(=CC=C1)OC)OC
InChI
InChI=1S/C16H23NO4/c1-4-5-6-10-17-11-12-21-16(18)13-8-7-9-14(19-2)15(13)20-3/h7-10H,4-6,11-12H2,1-3H3
InChIKey
WRJLXJXVMVKRBC-UHFFFAOYSA-N
Compound name
2-(pentylideneamino)ethyl 2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 169.9
[M+Na]+ 316.15194 180.3
[M+NH4]+ 311.19654 175.8
[M+K]+ 332.12588 173.8
[M-H]- 292.15544 171.1
[M+Na-2H]- 314.13739 174.2
[M]+ 293.16217 171.4
[M]- 293.16327 171.4
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.