CID 16528

Acid blue 43

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₇S

SMILES

C1=CC(=C2C(=C1N)C(=O)C3=C(C2=O)C(=CC(=C3O)S(=O)(=O)O)N)O

InChI

InChI=1S/C14H10N2O7S/c15-4-1-2-6(17)10-8(4)14(20)11-9(13(10)19)5(16)3-7(12(11)18)24(21,22)23/h1-3,17-18H,15-16H2,(H,21,22,23)

InChIKey

SPHQXPPVJCWUGX-UHFFFAOYSA-N

Compound name

4,8-diamino-1,5-dihydroxy-9,10-dioxoanthracene-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 697
Patents: 350.02087 Da
Monoisotopic Mass: 0.6
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]+	351.02815	173.3
[M+Na]+	373.01009	182.8
[M+NH4]+	368.05469	177.5
[M+K]+	388.98403	179.1
[M-H]-	349.01359	172.6
[M+Na-2H]-	370.99554	173.9
[M]+	350.02032	174.4
[M]-	350.02142	174.4

Literature stripe

literature stripe

Patent stripe

patents stripe