CID 10867236

2-amino-4,5-dimethoxybenzamide

Structural Information

Molecular Formula
C9H12N2O3
SMILES
COC1=C(C=C(C(=C1)C(=O)N)N)OC
InChI
InChI=1S/C9H12N2O3/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H2,11,12)
InChIKey
RLWBNRZPIQCPFT-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

196.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.5
[M+Na]+ 219.07402 148.8
[M-H]- 195.07752 144.1
[M+NH4]+ 214.11862 159.3
[M+K]+ 235.04796 147.7
[M+H-H2O]+ 179.08206 134.3
[M+HCOO]- 241.08300 165.7
[M+CH3COO]- 255.09865 189.8
[M+Na-2H]- 217.05947 143.8
[M]+ 196.08425 141.0
[M]- 196.08535 141.0
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