CID 16684621

Antimonyl-2,4-dihydroxy-5-hydroxymethyl pyrimidine

Structural Information

Molecular Formula

C₁₀H₈N₄O₆Sb₂

SMILES

C1=C(C2=NC(=N1)O[Sb]OC3=NC=C(C(=N3)O[Sb]O2)CO)CO

InChI

InChI=1S/2C5H6N2O3.2Sb/c2*8-2-3-1-6-5(10)7-4(3)9;;/h2*1,8H,2H2,(H2,6,7,9,10);;/q;;2*+2/p-4

InChIKey

STTRIUPDBCMJEC-UHFFFAOYSA-J

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 521.852 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]+	522.859276	205.7
[M+Na]+	544.841218	212.8
[M-H]-	520.844724	199.7
[M+NH4]+	539.885823	206.2
[M+K]+	560.815158	213.9
[M+H-H2O]+	504.849260	197.3
[M+HCOO]-	566.850201	210.5
[M+CH3COO]-	580.865851	210.7
[M+Na-2H]-	542.826666	211.4
[M]+	521.85145142	208.0
[M]-	521.85254858	208.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.