CID 454642

2-indolinone 3,3bis(piperidet)1ph deriv.

Structural Information

Molecular Formula
C30H41N3O
SMILES
CN1CCCC(C1)CCC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CCC5CCCN(C5)C
InChI
InChI=1S/C30H41N3O/c1-31-20-8-10-24(22-31)16-18-30(19-17-25-11-9-21-32(2)23-25)27-14-6-7-15-28(27)33(29(30)34)26-12-4-3-5-13-26/h3-7,12-15,24-25H,8-11,16-23H2,1-2H3
InChIKey
DULSYYQJIQOAPZ-UHFFFAOYSA-N
Compound name
3,3-bis[2-(1-methylpiperidin-3-yl)ethyl]-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.32495 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.33223 221.3
[M+Na]+ 482.31417 222.9
[M-H]- 458.31767 227.9
[M+NH4]+ 477.35877 229.0
[M+K]+ 498.28811 214.7
[M+H-H2O]+ 442.32221 206.7
[M+HCOO]- 504.32315 229.0
[M+CH3COO]- 518.33880 225.6
[M+Na-2H]- 480.29962 214.8
[M]+ 459.32440 213.7
[M]- 459.32550 213.7
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.