CID 130739

Ikp-104

Structural Information

Molecular Formula
C26H21ClFNO3
SMILES
CC1=C(N(C(=CC1=O)C2=CC=CC=C2)C3=C(C(=CC(=C3)OC)OC)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H21ClFNO3/c1-16-23(30)15-21(17-7-5-4-6-8-17)29(26(16)18-9-11-19(28)12-10-18)22-13-20(31-2)14-24(32-3)25(22)27/h4-15H,1-3H3
InChIKey
MYSNSNGSKLLDBP-UHFFFAOYSA-N
Compound name
1-(2-chloro-3,5-dimethoxyphenyl)-2-(4-fluorophenyl)-3-methyl-6-phenylpyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

449.1194 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.12668 209.0
[M+Na]+ 472.10862 220.6
[M-H]- 448.11212 219.9
[M+NH4]+ 467.15322 217.5
[M+K]+ 488.08256 212.7
[M+H-H2O]+ 432.11666 196.2
[M+HCOO]- 494.11760 224.9
[M+CH3COO]- 508.13325 218.9
[M+Na-2H]- 470.09407 208.0
[M]+ 449.11885 215.1
[M]- 449.11995 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.