CID 76845

5-aminofluorescein

Structural Information

Molecular Formula
C20H13NO5
SMILES
C1=CC2=C(C=C1N)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H13NO5/c21-10-1-4-14-13(7-10)19(24)26-20(14)15-5-2-11(22)8-17(15)25-18-9-12(23)3-6-16(18)20/h1-9,22-23H,21H2
InChIKey
GZAJOEGTZDUSKS-UHFFFAOYSA-N
Compound name
6-amino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

35
References

3407
Patents

347.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08666 176.4
[M+Na]+ 370.06860 187.8
[M-H]- 346.07210 184.6
[M+NH4]+ 365.11320 192.6
[M+K]+ 386.04254 184.1
[M+H-H2O]+ 330.07664 169.4
[M+HCOO]- 392.07758 192.0
[M+CH3COO]- 406.09323 188.0
[M+Na-2H]- 368.05405 183.1
[M]+ 347.07883 178.1
[M]- 347.07993 178.1
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