CID 393459

N-(2-(indolin-3-yl)ethyl)acetamide

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(=O)NCCC1CNC2=CC=CC=C12
InChI
InChI=1S/C12H16N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,10,14H,6-8H2,1H3,(H,13,15)
InChIKey
LGWUGAXPKZWKCB-UHFFFAOYSA-N
Compound name
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.12627 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 146.6
[M+Na]+ 227.11549 152.7
[M-H]- 203.11899 148.0
[M+NH4]+ 222.16009 166.1
[M+K]+ 243.08943 149.0
[M+H-H2O]+ 187.12353 139.9
[M+HCOO]- 249.12447 167.0
[M+CH3COO]- 263.14012 185.4
[M+Na-2H]- 225.10094 150.9
[M]+ 204.12572 144.0
[M]- 204.12682 144.0
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.