CID 47304

Indoline, 1-(3-piperidinopropionyl)-

Structural Information

Molecular Formula
C16H22N2O
SMILES
C1CCN(CC1)CCC(=O)N2CCC3=CC=CC=C32
InChI
InChI=1S/C16H22N2O/c19-16(9-12-17-10-4-1-5-11-17)18-13-8-14-6-2-3-7-15(14)18/h2-3,6-7H,1,4-5,8-13H2
InChIKey
RQYOKWMHNJQWDS-UHFFFAOYSA-N
Compound name
1-(2,3-dihydroindol-1-yl)-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 163.2
[M+Na]+ 281.162438 167.0
[M-H]- 257.165944 166.4
[M+NH4]+ 276.207043 179.3
[M+K]+ 297.136378 162.9
[M+H-H2O]+ 241.170480 153.9
[M+HCOO]- 303.171421 178.4
[M+CH3COO]- 317.187071 172.8
[M+Na-2H]- 279.147886 164.2
[M]+ 258.17267142 158.0
[M]- 258.17376858 158.0
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

No patent data available for this compound.