CID 3012015

Chembl3828451

Structural Information

Molecular Formula
C10H13IN2O3
SMILES
C1C[C@H]([C@H](C1)N2C=C(C(=O)NC2=O)I)CO
InChI
InChI=1S/C10H13IN2O3/c11-7-4-13(10(16)12-9(7)15)8-3-1-2-6(8)5-14/h4,6,8,14H,1-3,5H2,(H,12,15,16)/t6-,8-/m0/s1
InChIKey
FPVKYQHLGQGPJA-XPUUQOCRSA-N
Compound name
1-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.9971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.00438 154.4
[M+Na]+ 358.98632 156.2
[M-H]- 334.98982 149.4
[M+NH4]+ 354.03092 165.7
[M+K]+ 374.96026 158.0
[M+H-H2O]+ 318.99436 143.8
[M+HCOO]- 380.99530 168.1
[M+CH3COO]- 395.01095 191.6
[M+Na-2H]- 356.97177 144.2
[M]+ 335.99655 149.4
[M]- 335.99765 149.4
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.