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]+ 293.113206 166.1
[M+Na]+ 315.095148 173.8
[M-H]- 291.098654 166.7
[M+NH4]+ 310.139753 177.1
[M+K]+ 331.069088 169.9
[M+H-H2O]+ 275.103190 158.2
[M+HCOO]- 337.104131 180.7
[M+CH3COO]- 351.119781 196.4
[M+Na-2H]- 313.080596 166.3
[M]+ 292.10538142 164.9
[M]- 292.10647858 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.