CID 71568997

2-(6-(2,5-dimethoxyphenyl)-4-oxo-2-thioxo-3,4-dihydropyrimidin-1(2h)-yl)acetamide

Structural Information

Molecular Formula
C14H15N3O4S
SMILES
COC1=CC(=C(C=C1)OC)C2=CC(=O)NC(=S)N2CC(=O)N
InChI
InChI=1S/C14H15N3O4S/c1-20-8-3-4-11(21-2)9(5-8)10-6-13(19)16-14(22)17(10)7-12(15)18/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19,22)
InChIKey
LJBUZOGABRDGBR-UHFFFAOYSA-N
Compound name
2-[6-(2,5-dimethoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

28
Patents

321.07834 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08562 171.0
[M+Na]+ 344.06756 180.7
[M-H]- 320.07106 174.3
[M+NH4]+ 339.11216 182.2
[M+K]+ 360.04150 175.0
[M+H-H2O]+ 304.07560 162.5
[M+HCOO]- 366.07654 186.6
[M+CH3COO]- 380.09219 206.3
[M+Na-2H]- 342.05301 170.8
[M]+ 321.07779 174.5
[M]- 321.07889 174.5
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.