CID 510117

Ethyl 4,7-dimethoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C13H15NO4
SMILES
CCOC(=O)C1=CC2=C(C=CC(=C2N1)OC)OC
InChI
InChI=1S/C13H15NO4/c1-4-18-13(15)9-7-8-10(16-2)5-6-11(17-3)12(8)14-9/h5-7,14H,4H2,1-3H3
InChIKey
DLRGJWYWJJCCOU-UHFFFAOYSA-N
Compound name
ethyl 4,7-dimethoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.10011 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 153.5
[M+Na]+ 272.089328 163.6
[M-H]- 248.092834 156.4
[M+NH4]+ 267.133933 172.2
[M+K]+ 288.063268 161.1
[M+H-H2O]+ 232.097370 147.2
[M+HCOO]- 294.098311 176.1
[M+CH3COO]- 308.113961 191.6
[M+Na-2H]- 270.074776 157.6
[M]+ 249.09956142 160.0
[M]- 249.10065858 160.0
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

No patent data available for this compound.