CID 6918428

257892-33-4

Structural Information

Molecular Formula
C22H14Cl2FN3O3
SMILES
C1=CC(=CC=C1CN2C=C(C3=C2C=CC(=C3)O)C(=O)C(=O)NC4=C(C=NC=C4Cl)Cl)F
InChI
InChI=1S/C22H14Cl2FN3O3/c23-17-8-26-9-18(24)20(17)27-22(31)21(30)16-11-28(10-12-1-3-13(25)4-2-12)19-6-5-14(29)7-15(16)19/h1-9,11,29H,10H2,(H,26,27,31)
InChIKey
DPHDSIQHVGSITN-UHFFFAOYSA-N
Compound name
N-(3,5-dichloropyridin-4-yl)-2-[1-[(4-fluorophenyl)methyl]-5-hydroxyindol-3-yl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

3272
Patents

457.0396 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.04688 202.2
[M+Na]+ 480.02882 218.1
[M+NH4]+ 475.07342 208.1
[M+K]+ 496.00276 211.5
[M-H]- 456.03232 205.8
[M+Na-2H]- 478.01427 209.7
[M]+ 457.03905 206.0
[M]- 457.04015 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

literature stripe

Patent stripe

patents stripe