CID 720769

288154-97-2

Structural Information

Molecular Formula
C13H19NO6
SMILES
COC1=C(C=C(C=C1)C(=O)NC(CO)(CO)CO)OC
InChI
InChI=1S/C13H19NO6/c1-19-10-4-3-9(5-11(10)20-2)12(18)14-13(6-15,7-16)8-17/h3-5,15-17H,6-8H2,1-2H3,(H,14,18)
InChIKey
ZNZYSWNACGYNSK-UHFFFAOYSA-N
Compound name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

285.12125 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 163.1
[M+Na]+ 308.11047 168.2
[M-H]- 284.11397 162.6
[M+NH4]+ 303.15507 176.5
[M+K]+ 324.08441 166.8
[M+H-H2O]+ 268.11851 156.9
[M+HCOO]- 330.11945 181.6
[M+CH3COO]- 344.13510 195.8
[M+Na-2H]- 306.09592 166.6
[M]+ 285.12070 165.5
[M]- 285.12180 165.5
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

No patent data available for this compound.