CID 5276910

1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H11IN2O4
SMILES
C1=C(C(=O)NC(=O)N1CC=C(CO)CO)I
InChI
InChI=1S/C9H11IN2O4/c10-7-3-12(9(16)11-8(7)15)2-1-6(4-13)5-14/h1,3,13-14H,2,4-5H2,(H,11,15,16)
InChIKey
XWLXECHJGGGEOP-UHFFFAOYSA-N
Compound name
1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.97635 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.98363 158.7
[M+Na]+ 360.96557 160.4
[M-H]- 336.96907 149.5
[M+NH4]+ 356.01017 167.6
[M+K]+ 376.93951 162.0
[M+H-H2O]+ 320.97361 148.3
[M+HCOO]- 382.97455 171.3
[M+CH3COO]- 396.99020 190.3
[M+Na-2H]- 358.95102 149.4
[M]+ 337.97580 155.5
[M]- 337.97690 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.