CID 95566152

2',7'-bis(carboxyethyl)-5(6)-carboxyfluorescein

Structural Information

Molecular Formula
C26H20O9
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CCC(=O)O)O)OC5=C3C=C(C(=C5)O)CCC(=O)O
InChI
InChI=1S/C26H20O9/c27-19-11-21-17(9-13(19)5-7-23(29)30)26(16-4-2-1-3-15(16)25(33)35-26)18-10-14(6-8-24(31)32)20(28)12-22(18)34-21/h1-4,9-12,27-28H,5-8H2,(H,29,30)(H,31,32)
InChIKey
BUZFYEJMNXWERT-UHFFFAOYSA-N
Compound name
3-[7'-(2-carboxyethyl)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-2'-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

642
References

0
Patents

476.11072 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.11800 207.9
[M+Na]+ 499.09994 215.4
[M-H]- 475.10344 213.0
[M+NH4]+ 494.14454 217.0
[M+K]+ 515.07388 213.6
[M+H-H2O]+ 459.10798 200.9
[M+HCOO]- 521.10892 216.4
[M+CH3COO]- 535.12457 232.9
[M+Na-2H]- 497.08539 209.6
[M]+ 476.11017 213.0
[M]- 476.11127 213.0
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.