CID 131559281

Ethyl 2-amino-6-bromo-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
CCOC(=O)C1=C(NC2=C1C=CC(=C2)Br)N
InChI
InChI=1S/C11H11BrN2O2/c1-2-16-11(15)9-7-4-3-6(12)5-8(7)14-10(9)13/h3-5,14H,2,13H2,1H3
InChIKey
CVCLOOCQYZSIMR-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-bromo-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

282.0004 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.007676 154.9
[M+Na]+ 304.989618 167.8
[M-H]- 280.993124 160.0
[M+NH4]+ 300.034223 175.3
[M+K]+ 320.963558 155.5
[M+H-H2O]+ 264.997660 154.3
[M+HCOO]- 326.998601 175.5
[M+CH3COO]- 341.014251 195.4
[M+Na-2H]- 302.975066 160.1
[M]+ 281.99985142 174.4
[M]- 282.00094858 174.4
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

patents stripe