CID 454643

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

Structural Information

Molecular Formula
C30H29N3O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CCCC4=CN=CC=C4)CCCC5=CN=CC=C5
InChI
InChI=1S/C30H29N3O/c34-29-30(18-6-10-24-12-8-20-31-22-24,19-7-11-25-13-9-21-32-23-25)27-16-4-5-17-28(27)33(29)26-14-2-1-3-15-26/h1-5,8-9,12-17,20-23H,6-7,10-11,18-19H2
InChIKey
HASZUIZBZINHCP-UHFFFAOYSA-N
Compound name
1-phenyl-3,3-bis(3-pyridin-3-ylpropyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.23105 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23833 215.0
[M+Na]+ 470.22027 220.9
[M-H]- 446.22377 223.3
[M+NH4]+ 465.26487 223.0
[M+K]+ 486.19421 211.4
[M+H-H2O]+ 430.22831 200.1
[M+HCOO]- 492.22925 231.2
[M+CH3COO]- 506.24490 221.8
[M+Na-2H]- 468.20572 216.1
[M]+ 447.23050 214.9
[M]- 447.23160 214.9
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.