CID 71568997

1435467-38-1

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

23
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 172.5
[M+Na]+ 344.06756 184.8
[M+NH4]+ 339.11216 177.3
[M+K]+ 360.04150 178.1
[M-H]- 320.07106 173.9
[M+Na-2H]- 342.05301 177.4
[M]+ 321.07779 174.8
[M]- 321.07889 174.8
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

patents stripe