CID 3607530

Methyl 5,6,7-trimethoxy-1-methylindole-2-carboxylate

Structural Information

Molecular Formula
C14H17NO5
SMILES
CN1C(=CC2=CC(=C(C(=C21)OC)OC)OC)C(=O)OC
InChI
InChI=1S/C14H17NO5/c1-15-9(14(16)20-5)6-8-7-10(17-2)12(18-3)13(19-4)11(8)15/h6-7H,1-5H3
InChIKey
LOHPWAFCFZZNPA-UHFFFAOYSA-N
Compound name
methyl 5,6,7-trimethoxy-1-methylindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 159.3
[M+Na]+ 302.099918 170.9
[M-H]- 278.103424 164.1
[M+NH4]+ 297.144523 177.9
[M+K]+ 318.073858 169.8
[M+H-H2O]+ 262.107960 152.9
[M+HCOO]- 324.108901 183.1
[M+CH3COO]- 338.124551 201.7
[M+Na-2H]- 300.085366 162.1
[M]+ 279.11015142 170.2
[M]- 279.11124858 170.2
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.