CID 10945667

89392-03-0

Structural Information

Molecular Formula
C13H13N3O4
SMILES
COC1=CC(=NC(=N1)NC(=O)OC2=CC=CC=C2)OC
InChI
InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)
InChIKey
MESPVSMSORHLAX-UHFFFAOYSA-N
Compound name
phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

498
Patents

275.0906 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.09788 160.7
[M+Na]+ 298.07982 173.6
[M+NH4]+ 293.12442 166.6
[M+K]+ 314.05376 168.3
[M-H]- 274.08332 163.0
[M+Na-2H]- 296.06527 168.7
[M]+ 275.09005 163.0
[M]- 275.09115 163.0
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

patents stripe