CID 11109730

[2,2'-bipyrimidine]-4,6(1h,5h)-dione, 5-(2-methoxyphenoxy)-

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 172.1
[M+Na]+ 335.07507 180.7
[M-H]- 311.07857 175.4
[M+NH4]+ 330.11967 179.7
[M+K]+ 351.04901 175.4
[M+H-H2O]+ 295.08311 160.3
[M+HCOO]- 357.08405 188.4
[M+CH3COO]- 371.09970 202.1
[M+Na-2H]- 333.06052 176.7
[M]+ 312.08530 171.6
[M]- 312.08640 171.6
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