CID 54594677

2-[3-(2-aminoethyl)-5-methyl-1h-indol-1-yl]acetamide hydrochloride

Structural Information

Molecular Formula
C13H17N3O
SMILES
CC1=CC2=C(C=C1)N(C=C2CCN)CC(=O)N
InChI
InChI=1S/C13H17N3O/c1-9-2-3-12-11(6-9)10(4-5-14)7-16(12)8-13(15)17/h2-3,6-7H,4-5,8,14H2,1H3,(H2,15,17)
InChIKey
CTRFFSOROZJNRH-UHFFFAOYSA-N
Compound name
2-[3-(2-aminoethyl)-5-methylindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 152.6
[M+Na]+ 254.12638 161.7
[M-H]- 230.12988 155.7
[M+NH4]+ 249.17098 171.7
[M+K]+ 270.10032 157.5
[M+H-H2O]+ 214.13442 145.7
[M+HCOO]- 276.13536 176.8
[M+CH3COO]- 290.15101 197.3
[M+Na-2H]- 252.11183 155.8
[M]+ 231.13661 153.3
[M]- 231.13771 153.3
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

No patent data available for this compound.