CID 10666340

4,5-diaminofluorescein

Structural Information

Molecular Formula
C20H14N2O5
SMILES
C1=CC2=C(C=C1O)OC3=C(C24C5=CC(=C(C=C5C(=O)O4)N)N)C=CC(=C3)O
InChI
InChI=1S/C20H14N2O5/c21-15-7-11-14(8-16(15)22)20(27-19(11)25)12-3-1-9(23)5-17(12)26-18-6-10(24)2-4-13(18)20/h1-8,23-24H,21-22H2
InChIKey
LTYUPYUWXRTNFQ-UHFFFAOYSA-N
Compound name
5,6-diamino-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

85
References

299
Patents

362.09027 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.09755 180.9
[M+Na]+ 385.07949 192.2
[M-H]- 361.08299 188.8
[M+NH4]+ 380.12409 196.1
[M+K]+ 401.05343 188.5
[M+H-H2O]+ 345.08753 173.9
[M+HCOO]- 407.08847 196.7
[M+CH3COO]- 421.10412 191.9
[M+Na-2H]- 383.06494 186.7
[M]+ 362.08972 181.7
[M]- 362.09082 181.7
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