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 169.4
[M+Na]+ 316.15194 175.4
[M-H]- 292.15544 173.8
[M+NH4]+ 311.19654 185.5
[M+K]+ 332.12588 174.1
[M+H-H2O]+ 276.15998 161.6
[M+HCOO]- 338.16092 194.4
[M+CH3COO]- 352.17657 208.1
[M+Na-2H]- 314.13739 172.1
[M]+ 293.16217 177.3
[M]- 293.16327 177.3
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.