CID 50988448

6-chloro-3-(piperidin-4-yl)-2,3-dihydro-1h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
C1CNCCC1C2C3=C(C=C(C=C3)Cl)NC2=O
InChI
InChI=1S/C13H15ClN2O/c14-9-1-2-10-11(7-9)16-13(17)12(10)8-3-5-15-6-4-8/h1-2,7-8,12,15H,3-6H2,(H,16,17)
InChIKey
DMKIVXJEYOPLSR-UHFFFAOYSA-N
Compound name
6-chloro-3-piperidin-4-yl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.0873 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 157.4
[M+Na]+ 273.07652 164.6
[M-H]- 249.08002 158.8
[M+NH4]+ 268.12112 174.0
[M+K]+ 289.05046 157.4
[M+H-H2O]+ 233.08456 150.1
[M+HCOO]- 295.08550 166.9
[M+CH3COO]- 309.10115 167.3
[M+Na-2H]- 271.06197 158.5
[M]+ 250.08675 151.2
[M]- 250.08785 151.2
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

patents stripe