CID 454652

2-indolinone 3,3bis(pyridme)1bz deriv.

Structural Information

Molecular Formula
C29H35N3O
SMILES
CN1CCC(=CC1)CC2(C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4)CC5=CCN(CC5)C
InChI
InChI=1S/C29H35N3O/c1-30-16-12-23(13-17-30)20-29(21-24-14-18-31(2)19-15-24)26-10-6-7-11-27(26)32(28(29)33)22-25-8-4-3-5-9-25/h3-12,14H,13,15-22H2,1-2H3
InChIKey
BVCSYYGKDIWWEI-UHFFFAOYSA-N
Compound name
1-benzyl-3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.278 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.28528 215.2
[M+Na]+ 464.26722 219.4
[M-H]- 440.27072 222.9
[M+NH4]+ 459.31182 223.9
[M+K]+ 480.24116 210.9
[M+H-H2O]+ 424.27526 200.9
[M+HCOO]- 486.27620 226.2
[M+CH3COO]- 500.29185 221.1
[M+Na-2H]- 462.25267 211.3
[M]+ 441.27745 210.2
[M]- 441.27855 210.2
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

No patent data available for this compound.