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]+ 218.128776 147.5
[M+Na]+ 240.110718 156.1
[M-H]- 216.114224 150.9
[M+NH4]+ 235.155323 167.1
[M+K]+ 256.084658 152.5
[M+H-H2O]+ 200.118760 140.5
[M+HCOO]- 262.119701 172.8
[M+CH3COO]- 276.135351 193.0
[M+Na-2H]- 238.096166 153.0
[M]+ 217.12095142 148.4
[M]- 217.12204858 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