CID 8775

Arsaminol

Structural Information

Molecular Formula

C₁₂H₁₂As₂N₂O₂

SMILES

C1=CC(=C(C=C1[As]=[As]C2=CC(=C(C=C2)O)N)N)O

InChI

InChI=1S/C12H12As2N2O2/c15-9-5-7(1-3-11(9)17)13-14-8-2-4-12(18)10(16)6-8/h1-6,17-18H,15-16H2

InChIKey

ZCZNGRXPMRPERV-UHFFFAOYSA-N

Compound name

2-amino-4-(3-amino-4-hydroxyphenyl)arsanylidenearsanylphenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 497
References: 4701
Patents: 365.93307 Da
Monoisotopic Mass: None
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]+	366.94035	176.8
[M+Na]+	388.92229	183.9
[M-H]-	364.92579	179.8
[M+NH4]+	383.96689	191.1
[M+K]+	404.89623	177.7
[M+H-H2O]+	348.93033	168.6
[M+HCOO]-	410.93127	198.3
[M+CH3COO]-	424.94692	197.9
[M+Na-2H]-	386.90774	177.4
[M]+	365.93252	172.5
[M]-	365.93362	172.5

Literature stripe

literature stripe

Patent stripe

patents stripe