CID 120271

3',6'-diaminofluoran

Structural Information

Molecular Formula
C20H14N2O3
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)N)OC5=C3C=CC(=C5)N
InChI
InChI=1S/C20H14N2O3/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/h1-10H,21-22H2
InChIKey
ACNUVXZPCIABEX-UHFFFAOYSA-N
Compound name
3',6'-diaminospiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4815
Patents

330.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10771 173.8
[M+Na]+ 353.08965 184.9
[M-H]- 329.09315 183.6
[M+NH4]+ 348.13425 191.4
[M+K]+ 369.06359 180.7
[M+H-H2O]+ 313.09769 166.0
[M+HCOO]- 375.09863 192.5
[M+CH3COO]- 389.11428 185.9
[M+Na-2H]- 351.07510 181.0
[M]+ 330.09988 174.0
[M]- 330.10098 174.0
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