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]+ 250.10739 153.5
[M+Na]+ 272.08933 163.6
[M-H]- 248.09283 156.4
[M+NH4]+ 267.13393 172.2
[M+K]+ 288.06327 161.1
[M+H-H2O]+ 232.09737 147.2
[M+HCOO]- 294.09831 176.1
[M+CH3COO]- 308.11396 191.6
[M+Na-2H]- 270.07478 157.6
[M]+ 249.09956 160.0
[M]- 249.10066 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.