CID 2748311

663196-23-4

Structural Information

Molecular Formula
C14H16N2O5
SMILES
CC1=C(C(NC(=O)N1)C2=C(C(=CC=C2)OC)O)C(=O)OC
InChI
InChI=1S/C14H16N2O5/c1-7-10(13(18)21-3)11(16-14(19)15-7)8-5-4-6-9(20-2)12(8)17/h4-6,11,17H,1-3H3,(H2,15,16,19)
InChIKey
FYXFESFZAXIGQY-UHFFFAOYSA-N
Compound name
methyl 4-(2-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 166.1
[M+Na]+ 315.09515 173.8
[M-H]- 291.09865 166.7
[M+NH4]+ 310.13975 177.1
[M+K]+ 331.06909 169.9
[M+H-H2O]+ 275.10319 158.2
[M+HCOO]- 337.10413 180.7
[M+CH3COO]- 351.11978 196.4
[M+Na-2H]- 313.08060 166.3
[M]+ 292.10538 164.9
[M]- 292.10648 164.9
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

No patent data available for this compound.