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

510
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 159.8
[M+Na]+ 298.07982 167.5
[M-H]- 274.08332 164.2
[M+NH4]+ 293.12442 172.7
[M+K]+ 314.05376 165.6
[M+H-H2O]+ 258.08786 150.1
[M+HCOO]- 320.08880 182.9
[M+CH3COO]- 334.10445 198.7
[M+Na-2H]- 296.06527 166.5
[M]+ 275.09005 163.7
[M]- 275.09115 163.7
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