CID 5924208

Gw5074

Structural Information

Molecular Formula
C15H8Br2INO2
SMILES
C1=CC2=C(C=C1I)/C(=C/C3=CC(=C(C(=C3)Br)O)Br)/C(=O)N2
InChI
InChI=1S/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3-
InChIKey
LMXYVLFTZRPNRV-KMKOMSMNSA-N
Compound name
(3Z)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

95
References

507
Patents

518.79663 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 519.80391 173.4
[M+Na]+ 541.78585 179.1
[M-H]- 517.78935 174.9
[M+NH4]+ 536.83045 185.5
[M+K]+ 557.75979 167.5
[M+H-H2O]+ 501.79389 177.8
[M+HCOO]- 563.79483 182.1
[M+CH3COO]- 577.81048 181.9
[M+Na-2H]- 539.77130 167.1
[M]+ 518.79608 201.8
[M]- 518.79718 201.8
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