CID 451900

2',3'-dideoxy-2',3'-diiodo-2',3'-secouridine

Structural Information

Molecular Formula
C9H12I2N2O4
SMILES
C1=CN(C(=O)NC1=O)C(CI)OC(CO)CI
InChI
InChI=1S/C9H12I2N2O4/c10-3-6(5-14)17-8(4-11)13-2-1-7(15)12-9(13)16/h1-2,6,8,14H,3-5H2,(H,12,15,16)
InChIKey
RXWTYDCWCPISMG-UHFFFAOYSA-N
Compound name
1-[1-(1-hydroxy-3-iodopropan-2-yl)oxy-2-iodoethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.88864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.89592 165.9
[M+Na]+ 488.87786 158.7
[M-H]- 464.88136 153.4
[M+NH4]+ 483.92246 169.2
[M+K]+ 504.85180 168.0
[M+H-H2O]+ 448.88590 152.8
[M+HCOO]- 510.88684 172.8
[M+CH3COO]- 524.90249 209.4
[M+Na-2H]- 486.86331 151.0
[M]+ 465.88809 161.9
[M]- 465.88919 161.9
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.