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

4
Patents

238.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05818 149.8
[M+Na]+ 261.04012 160.9
[M-H]- 237.04362 152.2
[M+NH4]+ 256.08472 169.4
[M+K]+ 277.01406 155.5
[M+H-H2O]+ 221.04816 144.5
[M+HCOO]- 283.04910 168.4
[M+CH3COO]- 297.06475 189.5
[M+Na-2H]- 259.02557 153.7
[M]+ 238.05035 153.0
[M]- 238.05145 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