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

8
Patents

281.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 166.3
[M+Na]+ 304.151938 171.9
[M-H]- 280.155444 171.1
[M+NH4]+ 299.196543 182.8
[M+K]+ 320.125878 172.6
[M+H-H2O]+ 264.159980 159.0
[M+HCOO]- 326.160921 189.5
[M+CH3COO]- 340.176571 208.4
[M+Na-2H]- 302.137386 167.1
[M]+ 281.16217142 173.5
[M]- 281.16326858 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