CID 452412

3'-hydroxymethyl 5-i-ddu

Structural Information

Molecular Formula
C10H13IN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)CO
InChI
InChI=1S/C10H13IN2O5/c11-6-2-13(10(17)12-9(6)16)8-1-5(3-14)7(4-15)18-8/h2,5,7-8,14-15H,1,3-4H2,(H,12,16,17)/t5-,7-,8-/m1/s1
InChIKey
GESSWOYGKDTRJA-LPBLVHEISA-N
Compound name
1-[(2R,4R,5S)-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

367.9869 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99418 164.7
[M+Na]+ 390.97612 166.7
[M-H]- 366.97962 159.4
[M+NH4]+ 386.02072 172.9
[M+K]+ 406.95006 169.5
[M+H-H2O]+ 350.98416 154.2
[M+HCOO]- 412.98510 176.3
[M+CH3COO]- 427.00075 195.2
[M+Na-2H]- 388.96157 153.9
[M]+ 367.98635 161.5
[M]- 367.98745 161.5
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.