CID 459910

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

Structural Information

Molecular Formula
C10H13IN2O4
SMILES
C1[C@@H](C[C@H]([C@@H]1N2C=C(C(=O)NC2=O)I)O)CO
InChI
InChI=1S/C10H13IN2O4/c11-6-3-13(10(17)12-9(6)16)7-1-5(4-14)2-8(7)15/h3,5,7-8,14-15H,1-2,4H2,(H,12,16,17)/t5-,7+,8+/m0/s1
InChIKey
YTGFYCGQKIPXFJ-UIISKDMLSA-N
Compound name
1-[(1R,2R,4S)-2-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.992 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99928 159.2
[M+Na]+ 374.98122 161.3
[M-H]- 350.98472 153.4
[M+NH4]+ 370.02582 169.4
[M+K]+ 390.95516 162.8
[M+H-H2O]+ 334.98926 148.9
[M+HCOO]- 396.99020 171.6
[M+CH3COO]- 411.00585 192.8
[M+Na-2H]- 372.96667 147.9
[M]+ 351.99145 154.2
[M]- 351.99255 154.2
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.