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

7
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 163.8
[M+Na]+ 308.11047 171.2
[M+NH4]+ 303.15507 167.6
[M+K]+ 324.08441 169.2
[M-H]- 284.11397 161.6
[M+Na-2H]- 306.09592 165.6
[M]+ 285.12070 163.7
[M]- 285.12180 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe