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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.85928 205.7
[M+Na]+ 544.84122 212.8
[M-H]- 520.84472 199.7
[M+NH4]+ 539.88582 206.2
[M+K]+ 560.81516 213.9
[M+H-H2O]+ 504.84926 197.3
[M+HCOO]- 566.85020 210.5
[M+CH3COO]- 580.86585 210.7
[M+Na-2H]- 542.82667 211.4
[M]+ 521.85145 208.0
[M]- 521.85255 208.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.