CID 4453649

Methyl 5,6,7-trimethoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C13H15NO5
SMILES
COC1=C(C(=C2C(=C1)C=C(N2)C(=O)OC)OC)OC
InChI
InChI=1S/C13H15NO5/c1-16-9-6-7-5-8(13(15)19-4)14-10(7)12(18-3)11(9)17-2/h5-6,14H,1-4H3
InChIKey
ZSXHVDGSRITZMF-UHFFFAOYSA-N
Compound name
methyl 5,6,7-trimethoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

265.09503 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 155.7
[M+Na]+ 288.08425 166.4
[M-H]- 264.08775 158.9
[M+NH4]+ 283.12885 173.9
[M+K]+ 304.05819 164.7
[M+H-H2O]+ 248.09229 149.5
[M+HCOO]- 310.09323 178.4
[M+CH3COO]- 324.10888 195.0
[M+Na-2H]- 286.06970 159.3
[M]+ 265.09448 164.0
[M]- 265.09558 164.0
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