CID 12314937

3'-amino-6'-hydroxy-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one

Structural Information

Molecular Formula
C20H13NO4
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)O
InChI
InChI=1S/C20H13NO4/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,22H,21H2
InChIKey
OKFGUUIODGPPLE-UHFFFAOYSA-N
Compound name
3'-amino-6'-hydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

40
References

18
Patents

331.08447 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.091746 173.1
[M+Na]+ 354.073688 184.3
[M-H]- 330.077194 182.2
[M+NH4]+ 349.118293 190.4
[M+K]+ 370.047628 180.4
[M+H-H2O]+ 314.081730 165.7
[M+HCOO]- 376.082671 190.1
[M+CH3COO]- 390.098321 185.1
[M+Na-2H]- 352.059136 180.4
[M]+ 331.08392142 174.5
[M]- 331.08501858 174.5
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