CID 90307

23959-28-6

Structural Information

Molecular Formula
C15H23NO4
SMILES
CCN(CC)CCOC(=O)C1=C(C(=CC=C1)OC)OC
InChI
InChI=1S/C15H23NO4/c1-5-16(6-2)10-11-20-15(17)12-8-7-9-13(18-3)14(12)19-4/h7-9H,5-6,10-11H2,1-4H3
InChIKey
DAUWPUQXZNSGSG-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,3-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.169996 166.3
[M+Na]+ 304.151938 172.1
[M-H]- 280.155444 171.0
[M+NH4]+ 299.196543 182.9
[M+K]+ 320.125878 172.3
[M+H-H2O]+ 264.159980 158.8
[M+HCOO]- 326.160921 190.5
[M+CH3COO]- 340.176571 207.5
[M+Na-2H]- 302.137386 168.3
[M]+ 281.16217142 174.1
[M]- 281.16326858 174.1
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.