CID 44150682

5-aminoeosin

Structural Information

Molecular Formula
C20H9Br4NO5
SMILES
C1=CC2=C(C=C1N)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)O)Br)Br)O)Br
InChI
InChI=1S/C20H9Br4NO5/c21-11-4-9-17(13(23)15(11)26)29-18-10(5-12(22)16(27)14(18)24)20(9)8-2-1-6(25)3-7(8)19(28)30-20/h1-5,26-27H,25H2
InChIKey
BXMFYZLAQCCIPK-UHFFFAOYSA-N
Compound name
6-amino-2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

658.72144 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 659.72872 180.9
[M+Na]+ 681.71066 184.7
[M-H]- 657.71416 185.4
[M+NH4]+ 676.75526 188.2
[M+K]+ 697.68460 175.7
[M+H-H2O]+ 641.71870 197.6
[M+HCOO]- 703.71964 182.6
[M+CH3COO]- 717.73529 185.8
[M+Na-2H]- 679.69611 180.6
[M]+ 658.72089 219.1
[M]- 658.72199 219.1
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