CID 454641

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

Structural Information

Molecular Formula
C28H25N3O
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3C(C2=O)(CCC4=CN=CC=C4)CCC5=CN=CC=C5
InChI
InChI=1S/C28H25N3O/c32-27-28(16-14-22-8-6-18-29-20-22,17-15-23-9-7-19-30-21-23)25-12-4-5-13-26(25)31(27)24-10-2-1-3-11-24/h1-13,18-21H,14-17H2
InChIKey
VJJALOYFQHKEQM-UHFFFAOYSA-N
Compound name
1-phenyl-3,3-bis(2-pyridin-3-ylethyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.19977 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20705 206.6
[M+Na]+ 442.18899 213.5
[M-H]- 418.19249 215.4
[M+NH4]+ 437.23359 215.8
[M+K]+ 458.16293 204.4
[M+H-H2O]+ 402.19703 192.2
[M+HCOO]- 464.19797 223.6
[M+CH3COO]- 478.21362 214.3
[M+Na-2H]- 440.17444 208.8
[M]+ 419.19922 206.0
[M]- 419.20032 206.0
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.