CID 68829777

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

Structural Information

Molecular Formula
C11H11ClN2O2
SMILES
CCOC(=O)C1=C(NC2=C1C=CC(=C2)Cl)N
InChI
InChI=1S/C11H11ClN2O2/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
IDEBTCGEXWOMHN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-6-chloro-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

238.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.058176 149.8
[M+Na]+ 261.040118 160.9
[M-H]- 237.043624 152.2
[M+NH4]+ 256.084723 169.4
[M+K]+ 277.014058 155.5
[M+H-H2O]+ 221.048160 144.5
[M+HCOO]- 283.049101 168.4
[M+CH3COO]- 297.064751 189.5
[M+Na-2H]- 259.025566 153.7
[M]+ 238.05035142 153.0
[M]- 238.05144858 153.0
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