CID 11109730

150728-12-4

Structural Information

Molecular Formula
C15H12N4O4
SMILES
COC1=CC=CC=C1OC2C(=O)NC(=NC2=O)C3=NC=CC=N3
InChI
InChI=1S/C15H12N4O4/c1-22-9-5-2-3-6-10(9)23-11-14(20)18-13(19-15(11)21)12-16-7-4-8-17-12/h2-8,11H,1H3,(H,18,19,20,21)
InChIKey
ZJMPECSQUMNGPA-UHFFFAOYSA-N
Compound name
5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

312.08585 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09313 171.8
[M+Na]+ 335.07507 186.7
[M+NH4]+ 330.11967 176.7
[M+K]+ 351.04901 180.8
[M-H]- 311.07857 174.2
[M+Na-2H]- 333.06052 180.0
[M]+ 312.08530 174.4
[M]- 312.08640 174.4
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

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