CID 16684623

Antimonyl-2,4-dihydroxy pyrimidine

Structural Information

Molecular Formula
C8H4N4O4Sb2
SMILES
C1=CN=C2N=C1O[Sb]OC3=NC(=NC=C3)O[Sb]O2
InChI
InChI=1S/2C4H4N2O2.2Sb/c2*7-3-1-2-5-4(8)6-3;;/h2*1-2H,(H2,5,6,7,8);;/q;;2*+2/p-4
InChIKey
DYLCPSQAQNEKTM-UHFFFAOYSA-J
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.83087 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.838146 187.3
[M+Na]+ 484.820088 194.9
[M-H]- 460.823594 183.4
[M+NH4]+ 479.864693 191.2
[M+K]+ 500.794028 196.8
[M+H-H2O]+ 444.828130 178.7
[M+HCOO]- 506.829071 195.5
[M+CH3COO]- 520.844721 194.2
[M+Na-2H]- 482.805536 196.0
[M]+ 461.83032142 188.7
[M]- 461.83141858 188.7
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.