CID 489886

N-1-propargyl-5-iodouracil

Structural Information

Molecular Formula
C7H5IN2O2
SMILES
C#CCN1C=C(C(=O)NC1=O)I
InChI
InChI=1S/C7H5IN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h1,4H,3H2,(H,9,11,12)
InChIKey
GBSBXMICGPJWKB-UHFFFAOYSA-N
Compound name
5-iodo-1-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.93958 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.94686 136.2
[M+Na]+ 298.92880 141.9
[M-H]- 274.93230 129.0
[M+NH4]+ 293.97340 147.2
[M+K]+ 314.90274 143.3
[M+H-H2O]+ 258.93684 120.8
[M+HCOO]- 320.93778 147.7
[M+CH3COO]- 334.95343 191.9
[M+Na-2H]- 296.91425 130.6
[M]+ 275.93903 128.9
[M]- 275.94013 128.9
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.