CID 510968

1-[(2r,4s,5r)-4-chloro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C9H10ClIN2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)Cl
InChI
InChI=1S/C9H10ClIN2O4/c10-4-1-7(17-6(4)3-14)13-2-5(11)8(15)12-9(13)16/h2,4,6-7,14H,1,3H2,(H,12,15,16)/t4-,6+,7+/m0/s1
InChIKey
ZBEVWIHBNPZILN-UBKIQSJTSA-N
Compound name
1-[(2R,4S,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.93738 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.94466 158.9
[M+Na]+ 394.92660 162.7
[M-H]- 370.93010 155.0
[M+NH4]+ 389.97120 168.7
[M+K]+ 410.90054 164.4
[M+H-H2O]+ 354.93464 149.2
[M+HCOO]- 416.93558 167.9
[M+CH3COO]- 430.95123 195.8
[M+Na-2H]- 392.91205 149.0
[M]+ 371.93683 157.7
[M]- 371.93793 157.7
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.