CID 514816

90301-67-0

Structural Information

Molecular Formula
C11H15IN2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCI)CO)O
InChI
InChI=1S/C11H15IN2O5/c12-2-1-6-4-14(11(18)13-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,1-3,5H2,(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
GCWFSWUOBUKTOE-DJLDLDEBSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-iodoethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.00256 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.00984 169.4
[M+Na]+ 404.99178 171.0
[M-H]- 380.99528 164.0
[M+NH4]+ 400.03638 177.1
[M+K]+ 420.96572 173.6
[M+H-H2O]+ 364.99982 158.7
[M+HCOO]- 427.00076 180.7
[M+CH3COO]- 441.01641 198.0
[M+Na-2H]- 402.97723 158.1
[M]+ 382.00201 166.6
[M]- 382.00311 166.6
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

No patent data available for this compound.