CID 23208

Benzoic acid, 3,4,5-trimethoxy-, ester with n,n-dimethylglycolamide

Structural Information

Molecular Formula
C14H19NO6
SMILES
CN(C)C(=O)COC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C14H19NO6/c1-15(2)12(16)8-21-14(17)9-6-10(18-3)13(20-5)11(7-9)19-4/h6-7H,8H2,1-5H3
InChIKey
JTGXNCOSEVWXPT-UHFFFAOYSA-N
Compound name
[2-(dimethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

297.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 164.3
[M+Na]+ 320.11047 171.3
[M-H]- 296.11397 169.7
[M+NH4]+ 315.15507 180.3
[M+K]+ 336.08441 173.0
[M+H-H2O]+ 280.11851 157.1
[M+HCOO]- 342.11945 188.5
[M+CH3COO]- 356.13510 209.5
[M+Na-2H]- 318.09592 165.4
[M]+ 297.12070 173.6
[M]- 297.12180 173.6
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