CID 5272750

Smiu

Structural Information

Molecular Formula
C10H13IN2O5
SMILES
C[C@H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)I)CO)O
InChI
InChI=1S/C10H13IN2O5/c1-4-7(15)6(3-14)18-9(4)13-2-5(11)8(16)12-10(13)17/h2,4,6-7,9,14-15H,3H2,1H3,(H,12,16,17)/t4-,6+,7-,9+/m0/s1
InChIKey
BGSUPOZREXUCCO-WOPPDYDQSA-N
Compound name
1-[(2R,3S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

367.9869 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99418 164.1
[M+Na]+ 390.97612 167.0
[M-H]- 366.97962 159.3
[M+NH4]+ 386.02072 172.7
[M+K]+ 406.95006 169.9
[M+H-H2O]+ 350.98416 154.0
[M+HCOO]- 412.98510 175.7
[M+CH3COO]- 427.00075 196.5
[M+Na-2H]- 388.96157 152.8
[M]+ 367.98635 161.4
[M]- 367.98745 161.4
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

patents stripe