CID 489884

N-1-propargyl-5-chlorouracil

Structural Information

Molecular Formula
C7H5ClN2O2
SMILES
C#CCN1C=C(C(=O)NC1=O)Cl
InChI
InChI=1S/C7H5ClN2O2/c1-2-3-10-4-5(8)6(11)9-7(10)12/h1,4H,3H2,(H,9,11,12)
InChIKey
NGJBFUBMVJQUGS-UHFFFAOYSA-N
Compound name
5-chloro-1-prop-2-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

184.00395 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.01123 131.0
[M+Na]+ 206.99317 144.4
[M-H]- 182.99667 129.8
[M+NH4]+ 202.03777 146.7
[M+K]+ 222.96711 139.0
[M+H-H2O]+ 167.00121 119.1
[M+HCOO]- 229.00215 142.9
[M+CH3COO]- 243.01780 184.8
[M+Na-2H]- 204.97862 136.1
[M]+ 184.00340 127.2
[M]- 184.00450 127.2
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.