CID 452410

3'-hydroxymethyl ara-5-i-u

Structural Information

Molecular Formula
C10H13IN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O)I
InChI
InChI=1S/C10H13IN2O6/c11-5-1-13(10(18)12-8(5)17)9-7(16)4(2-14)6(3-15)19-9/h1,4,6-7,9,14-16H,2-3H2,(H,12,17,18)/t4-,6-,7+,9-/m1/s1
InChIKey
ZJGWDASYLQGBSF-AIKLKQDHSA-N
Compound name
1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.98184 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.98912 169.4
[M+Na]+ 406.97106 171.5
[M-H]- 382.97456 163.3
[M+NH4]+ 402.01566 176.5
[M+K]+ 422.94500 174.3
[M+H-H2O]+ 366.97910 159.2
[M+HCOO]- 428.98004 179.6
[M+CH3COO]- 442.99569 196.8
[M+Na-2H]- 404.95651 157.6
[M]+ 383.98129 166.3
[M]- 383.98239 166.3
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.