CID 16026

2-(diethylamino)butyric acid 2,6-dimethoxyphenyl ester hydrochloride

Structural Information

Molecular Formula
C16H25NO4
SMILES
CCC(C(=O)OC1=C(C=CC=C1OC)OC)N(CC)CC
InChI
InChI=1S/C16H25NO4/c1-6-12(17(7-2)8-3)16(18)21-15-13(19-4)10-9-11-14(15)20-5/h9-12H,6-8H2,1-5H3
InChIKey
LZHDLUQYWJYIKI-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(diethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

295.17834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.18562 171.1
[M+Na]+ 318.16756 176.2
[M-H]- 294.17106 175.7
[M+NH4]+ 313.21216 187.0
[M+K]+ 334.14150 176.7
[M+H-H2O]+ 278.17560 163.5
[M+HCOO]- 340.17654 193.9
[M+CH3COO]- 354.19219 211.4
[M+Na-2H]- 316.15301 171.3
[M]+ 295.17779 178.6
[M]- 295.17889 178.6
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

patents stripe