CID 84683649

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

Structural Information

Molecular Formula
C12H14N2O2
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)N)C
InChI
InChI=1S/C12H14N2O2/c1-3-16-12(15)11-7(2)9-6-8(13)4-5-10(9)14-11/h4-6,14H,3,13H2,1-2H3
InChIKey
PPLPTNVCVSBQBM-UHFFFAOYSA-N
Compound name
ethyl 5-amino-3-methyl-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

218.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.6
[M+Na]+ 241.094748 157.5
[M-H]- 217.098254 150.1
[M+NH4]+ 236.139353 167.2
[M+K]+ 257.068688 153.7
[M+H-H2O]+ 201.102790 141.5
[M+HCOO]- 263.103731 170.5
[M+CH3COO]- 277.119381 188.8
[M+Na-2H]- 239.080196 151.5
[M]+ 218.10498142 149.2
[M]- 218.10607858 149.2
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