CID 10398490

4-(2-(propylamino)ethyl)indolin-2-one

Structural Information

Molecular Formula

C₁₃H₁₈N₂O

SMILES

CCCNCCC1=C2CC(=O)NC2=CC=C1

InChI

InChI=1S/C13H18N2O/c1-2-7-14-8-6-10-4-3-5-12-11(10)9-13(16)15-12/h3-5,14H,2,6-9H2,1H3,(H,15,16)

InChIKey

VKDWFHAQOZYATG-UHFFFAOYSA-N

Compound name

4-[2-(propylamino)ethyl]-1,3-dihydroindol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 218.1419 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.14918	150.9
[M+Na]+	241.13112	161.3
[M+NH4]+	236.17572	158.9
[M+K]+	257.10506	156.0
[M-H]-	217.13462	152.4
[M+Na-2H]-	239.11657	154.9
[M]+	218.14135	152.5
[M]-	218.14245	152.5

Literature stripe

literature stripe

Patent stripe

patents stripe