CID 366624

Nsc635299

Structural Information

Molecular Formula
C17H13Cl2NO5
SMILES
COC1=C(C=CC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O
InChI
InChI=1S/C17H13Cl2NO5/c1-25-14-4-8(2-3-12(14)21)13(22)7-17(24)10-5-9(18)6-11(19)15(10)20-16(17)23/h2-6,21,24H,7H2,1H3,(H,20,23)
InChIKey
XNEACTYFIWKRDG-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-hydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.0171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.02438 178.7
[M+Na]+ 404.00632 190.0
[M-H]- 380.00982 181.9
[M+NH4]+ 399.05092 193.9
[M+K]+ 419.98026 182.9
[M+H-H2O]+ 364.01436 174.4
[M+HCOO]- 426.01530 186.2
[M+CH3COO]- 440.03095 209.1
[M+Na-2H]- 401.99177 178.9
[M]+ 381.01655 183.5
[M]- 381.01765 183.5
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.