CID 383154

N-[2-(1h-indol-3-yl)ethyl]-n-methylacetamide

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC(=O)N(C)CCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C13H16N2O/c1-10(16)15(2)8-7-11-9-14-13-6-4-3-5-12(11)13/h3-6,9,14H,7-8H2,1-2H3
InChIKey
QXARHNVPFNXOJM-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.12627 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 149.1
[M+Na]+ 239.11549 157.0
[M-H]- 215.11899 152.7
[M+NH4]+ 234.16009 169.1
[M+K]+ 255.08943 154.0
[M+H-H2O]+ 199.12353 142.2
[M+HCOO]- 261.12447 172.6
[M+CH3COO]- 275.14012 191.3
[M+Na-2H]- 237.10094 154.1
[M]+ 216.12572 151.0
[M]- 216.12682 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe