CID 39732565

N-(2-aminoethyl)-1-methyl-1h-indole-2-carboxamide

Structural Information

Molecular Formula
C12H15N3O
SMILES
CN1C2=CC=CC=C2C=C1C(=O)NCCN
InChI
InChI=1S/C12H15N3O/c1-15-10-5-3-2-4-9(10)8-11(15)12(16)14-7-6-13/h2-5,8H,6-7,13H2,1H3,(H,14,16)
InChIKey
BVGKGZCOQLCCFE-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-1-methylindole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

217.1215 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12878 147.5
[M+Na]+ 240.11072 156.1
[M-H]- 216.11422 150.9
[M+NH4]+ 235.15532 167.1
[M+K]+ 256.08466 152.5
[M+H-H2O]+ 200.11876 140.5
[M+HCOO]- 262.11970 172.8
[M+CH3COO]- 276.13535 193.0
[M+Na-2H]- 238.09617 153.0
[M]+ 217.12095 148.4
[M]- 217.12205 148.4
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