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]+ 282.17000 166.0
[M+Na]+ 304.15194 176.2
[M+NH4]+ 299.19654 172.3
[M+K]+ 320.12588 170.9
[M-H]- 280.15544 167.3
[M+Na-2H]- 302.13739 170.4
[M]+ 281.16217 167.6
[M]- 281.16327 167.6
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

No patent data available for this compound.