CID 6479189

1-[(1r,3s,4r)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(e)-2-iodovinyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H15IN2O4
SMILES
C1[C@H](C[C@@H]([C@H]1CO)O)N2C=C(C(=O)NC2=O)/C=C/I
InChI
InChI=1S/C12H15IN2O4/c13-2-1-7-5-15(12(19)14-11(7)18)9-3-8(6-16)10(17)4-9/h1-2,5,8-10,16-17H,3-4,6H2,(H,14,18,19)/b2-1+/t8-,9-,10+/m1/s1
InChIKey
IVPBYJXSUIEMOB-CTNBOOGPSA-N
Compound name
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.00766 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.01494 167.2
[M+Na]+ 400.99688 168.8
[M-H]- 377.00038 161.1
[M+NH4]+ 396.04148 176.4
[M+K]+ 416.97082 169.4
[M+H-H2O]+ 361.00492 156.7
[M+HCOO]- 423.00586 179.2
[M+CH3COO]- 437.02151 197.1
[M+Na-2H]- 398.98233 155.0
[M]+ 378.00711 162.1
[M]- 378.00821 162.1
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.