CID 18334

3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C10H13NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N
InChI
InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)
InChIKey
GGNMTJKRHHLJHH-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

551
Patents

211.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.091736 143.0
[M+Na]+ 234.073678 151.7
[M-H]- 210.077184 147.0
[M+NH4]+ 229.118283 161.7
[M+K]+ 250.047618 151.3
[M+H-H2O]+ 194.081720 136.8
[M+HCOO]- 256.082661 167.7
[M+CH3COO]- 270.098311 190.4
[M+Na-2H]- 232.059126 146.6
[M]+ 211.08391142 147.1
[M]- 211.08500858 147.1
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