CID 46854353

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

Structural Information

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

literature stripe

Patent stripe

patents stripe