CID 512161

Schembl7518398

Structural Information

Molecular Formula
C10H13IN2O4
SMILES
C1[C@H]([C@@]1(CN2C=C(C(=O)NC2=O)I)CO)CO
InChI
InChI=1S/C10H13IN2O4/c11-7-2-13(9(17)12-8(7)16)4-10(5-15)1-6(10)3-14/h2,6,14-15H,1,3-5H2,(H,12,16,17)/t6-,10-/m0/s1
InChIKey
JSGIWNISLYMYGA-WKEGUHRASA-N
Compound name
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-iodopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

351.992 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99928 164.6
[M+Na]+ 374.98122 169.4
[M-H]- 350.98472 160.0
[M+NH4]+ 370.02582 170.9
[M+K]+ 390.95516 169.6
[M+H-H2O]+ 334.98926 155.2
[M+HCOO]- 396.99020 177.9
[M+CH3COO]- 411.00585 195.9
[M+Na-2H]- 372.96667 157.3
[M]+ 351.99145 165.3
[M]- 351.99255 165.3
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.