CID 454634

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

Structural Information

Molecular Formula
C28H37N3O
SMILES
CN1CCC(CC1)CC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC5CCN(CC5)C
InChI
InChI=1S/C28H37N3O/c1-29-16-12-22(13-17-29)20-28(21-23-14-18-30(2)19-15-23)25-10-6-7-11-26(25)31(27(28)32)24-8-4-3-5-9-24/h3-11,22-23H,12-21H2,1-2H3
InChIKey
WWRVPLMYKDKKFB-UHFFFAOYSA-N
Compound name
3,3-bis[(1-methylpiperidin-4-yl)methyl]-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.29367 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.30095 213.1
[M+Na]+ 454.28289 215.8
[M-H]- 430.28639 220.2
[M+NH4]+ 449.32749 222.1
[M+K]+ 470.25683 207.9
[M+H-H2O]+ 414.29093 199.0
[M+HCOO]- 476.29187 221.6
[M+CH3COO]- 490.30752 218.3
[M+Na-2H]- 452.26834 207.7
[M]+ 431.29312 205.0
[M]- 431.29422 205.0
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.