CID 71310707

6-aminoerythrosin

Structural Information

Molecular Formula
C20H9I4NO5
SMILES
C1=CC2=C(C=C1N)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)I)O)I)I)O)I)OC2=O
InChI
InChI=1S/C20H9I4NO5/c21-11-4-9-17(13(23)15(11)26)29-18-10(5-12(22)16(27)14(18)24)20(9)8-3-6(25)1-2-7(8)19(28)30-20/h1-5,26-27H,25H2
InChIKey
XSCPSRAAPMXOLS-UHFFFAOYSA-N
Compound name
5-amino-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

850.666 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 851.67328 227.7
[M+Na]+ 873.65522 215.0
[M-H]- 849.65872 220.6
[M+NH4]+ 868.69982 224.5
[M+K]+ 889.62916 227.8
[M+H-H2O]+ 833.66326 215.1
[M+HCOO]- 895.66420 223.4
[M+CH3COO]- 909.67985 220.9
[M+Na-2H]- 871.64067 208.1
[M]+ 850.66545 221.2
[M]- 850.66655 221.2
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.