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: 5622
Patents: 330.10043 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	331.107706	173.8
[M+Na]+	353.089648	184.9
[M-H]-	329.093154	183.6
[M+NH4]+	348.134253	191.4
[M+K]+	369.063588	180.7
[M+H-H2O]+	313.097690	166.0
[M+HCOO]-	375.098631	192.5
[M+CH3COO]-	389.114281	185.9
[M+Na-2H]-	351.075096	181.0
[M]+	330.09988142	174.0
[M]-	330.10097858	174.0

Literature stripe

literature stripe

Patent stripe

patents stripe