CID 17003

2409-35-0

Structural Information

Molecular Formula
C15H23NO4
SMILES
CCN(CC)C(C)C(=O)OC1=C(C=CC=C1OC)OC
InChI
InChI=1S/C15H23NO4/c1-6-16(7-2)11(3)15(17)20-14-12(18-4)9-8-10-13(14)19-5/h8-11H,6-7H2,1-5H3
InChIKey
FXFFNSVNNIYUDJ-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(diethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

281.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 166.3
[M+Na]+ 304.15194 171.9
[M-H]- 280.15544 171.1
[M+NH4]+ 299.19654 182.8
[M+K]+ 320.12588 172.6
[M+H-H2O]+ 264.15998 159.0
[M+HCOO]- 326.16092 189.5
[M+CH3COO]- 340.17657 208.4
[M+Na-2H]- 302.13739 167.1
[M]+ 281.16217 173.5
[M]- 281.16327 173.5
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