CID 44632017

Yk-4-279

Structural Information

Molecular Formula
C17H13Cl2NO4
SMILES
COC1=CC=C(C=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O
InChI
InChI=1S/C17H13Cl2NO4/c1-24-10-4-2-9(3-5-10)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
InChIKey
HLXSCTYHLQHQDJ-UHFFFAOYSA-N
Compound name
4,7-dichloro-3-hydroxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

76
Patents

365.02216 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02944 177.0
[M+Na]+ 388.01138 191.2
[M+NH4]+ 383.05598 185.4
[M+K]+ 403.98532 184.1
[M-H]- 364.01488 178.7
[M+Na-2H]- 385.99683 183.2
[M]+ 365.02161 180.2
[M]- 365.02271 180.2
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