CID 20292

3,4,5-trimethoxybenzoic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO5
SMILES
CCN(CC)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C16H25NO5/c1-6-17(7-2)8-9-22-16(18)12-10-13(19-3)15(21-5)14(11-12)20-4/h10-11H,6-9H2,1-5H3
InChIKey
RLJICTMMHSBWSL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18056 173.0
[M+Na]+ 334.16250 182.8
[M+NH4]+ 329.20710 178.4
[M+K]+ 350.13644 178.0
[M-H]- 310.16600 173.7
[M+Na-2H]- 332.14795 176.4
[M]+ 311.17273 174.3
[M]- 311.17383 174.3
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.