CID 39290

1,3-dihydro-3-phenyl-1-(2-piperidinoethyl)-2h-indol-2-one hydrochloride

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CCN(CC1)CCN2C3=CC=CC=C3C(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c24-21-20(17-9-3-1-4-10-17)18-11-5-6-12-19(18)23(21)16-15-22-13-7-2-8-14-22/h1,3-6,9-12,20H,2,7-8,13-16H2
InChIKey
SKFSBCKEKLYUEZ-UHFFFAOYSA-N
Compound name
3-phenyl-1-(2-piperidin-1-ylethyl)-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.1
[M+Na]+ 343.17809 184.0
[M-H]- 319.18159 185.6
[M+NH4]+ 338.22269 192.6
[M+K]+ 359.15203 177.5
[M+H-H2O]+ 303.18613 168.2
[M+HCOO]- 365.18707 194.7
[M+CH3COO]- 379.20272 188.1
[M+Na-2H]- 341.16354 179.2
[M]+ 320.18832 174.3
[M]- 320.18942 174.3
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.