CID 820514

N-methyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C11H15NO4
SMILES
CNC(=O)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C11H15NO4/c1-12-11(13)7-5-8(14-2)10(16-4)9(6-7)15-3/h5-6H,1-4H3,(H,12,13)
InChIKey
KGCVQLXXCMENQK-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

225.10011 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.107386 147.2
[M+Na]+ 248.089328 155.5
[M-H]- 224.092834 151.6
[M+NH4]+ 243.133933 165.8
[M+K]+ 264.063268 155.3
[M+H-H2O]+ 208.097370 140.9
[M+HCOO]- 270.098311 172.3
[M+CH3COO]- 284.113961 193.3
[M+Na-2H]- 246.074776 151.4
[M]+ 225.09956142 152.7
[M]- 225.10065858 152.7
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