CID 814476

Ethyl 3-amino-5-methoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C12H14N2O3
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)N
InChI
InChI=1S/C12H14N2O3/c1-3-17-12(15)11-10(13)8-6-7(16-2)4-5-9(8)14-11/h4-6,14H,3,13H2,1-2H3
InChIKey
DEKRXQYFEJCJEZ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-5-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

234.10045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 150.8
[M+Na]+ 257.08967 162.0
[M+NH4]+ 252.13427 157.6
[M+K]+ 273.06361 158.9
[M-H]- 233.09317 151.4
[M+Na-2H]- 255.07512 154.8
[M]+ 234.09990 152.3
[M]- 234.10100 152.3
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

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