CID 44632017

4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one

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

35
References

77
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 177.1
[M+Na]+ 388.01138 188.3
[M-H]- 364.01488 181.2
[M+NH4]+ 383.05598 193.5
[M+K]+ 403.98532 181.0
[M+H-H2O]+ 348.01942 172.1
[M+HCOO]- 410.02036 185.9
[M+CH3COO]- 424.03601 207.7
[M+Na-2H]- 385.99683 178.0
[M]+ 365.02161 181.8
[M]- 365.02271 181.8
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