CID 5279524

1-[[(1r,2r)-2-(hydroxymethyl)-3-methylene-cyclopropyl]methyl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H11IN2O3
SMILES
C=C1[C@@H]([C@H]1CO)CN2C=C(C(=O)NC2=O)I
InChI
InChI=1S/C10H11IN2O3/c1-5-6(7(5)4-14)2-13-3-8(11)9(15)12-10(13)16/h3,6-7,14H,1-2,4H2,(H,12,15,16)/t6-,7-/m0/s1
InChIKey
KEBWDSUUVPKFFV-BQBZGAKWSA-N
Compound name
1-[[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.98145 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.98873 158.4
[M+Na]+ 356.97067 164.2
[M-H]- 332.97417 155.1
[M+NH4]+ 352.01527 164.5
[M+K]+ 372.94461 163.2
[M+H-H2O]+ 316.97871 148.1
[M+HCOO]- 378.97965 173.5
[M+CH3COO]- 392.99530 196.9
[M+Na-2H]- 354.95612 149.9
[M]+ 333.98090 158.7
[M]- 333.98200 158.7
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.