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

literature stripe

Patent stripe

patents stripe