CID 454653

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

Structural Information

Molecular Formula
C30H45N3O
SMILES
CCCCCCCCN1C2=CC=CC=C2C(C1=O)(CC3=CCN(CC3)C)CC4=CCN(CC4)C
InChI
InChI=1S/C30H45N3O/c1-4-5-6-7-8-11-18-33-28-13-10-9-12-27(28)30(29(33)34,23-25-14-19-31(2)20-15-25)24-26-16-21-32(3)22-17-26/h9-10,12-14,16H,4-8,11,15,17-24H2,1-3H3
InChIKey
IVBHXPSUEVDTCT-UHFFFAOYSA-N
Compound name
3,3-bis[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-octylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.35626 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.36354 223.9
[M+Na]+ 486.34548 226.4
[M-H]- 462.34898 227.8
[M+NH4]+ 481.39008 232.5
[M+K]+ 502.31942 218.3
[M+H-H2O]+ 446.35352 210.8
[M+HCOO]- 508.35446 233.4
[M+CH3COO]- 522.37011 238.8
[M+Na-2H]- 484.33093 217.8
[M]+ 463.35571 222.0
[M]- 463.35681 222.0
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.