CID 366625

Nsc635300

Structural Information

Molecular Formula
C24H19Cl2NO5
SMILES
COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O
InChI
InChI=1S/C24H19Cl2NO5/c1-31-16-7-3-13(4-8-16)20(22(28)14-5-9-17(32-2)10-6-14)24(30)18-11-15(25)12-19(26)21(18)27-23(24)29/h3-12,20,30H,1-2H3,(H,27,29)
InChIKey
OZPIULLKZDKLQK-UHFFFAOYSA-N
Compound name
3-[1,2-bis(4-methoxyphenyl)-2-oxoethyl]-5,7-dichloro-3-hydroxy-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.06403 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07131 204.7
[M+Na]+ 494.05325 214.2
[M-H]- 470.05675 211.8
[M+NH4]+ 489.09785 216.2
[M+K]+ 510.02719 207.2
[M+H-H2O]+ 454.06129 197.5
[M+HCOO]- 516.06223 211.6
[M+CH3COO]- 530.07788 228.5
[M+Na-2H]- 492.03870 202.7
[M]+ 471.06348 210.9
[M]- 471.06458 210.9
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.