CID 332935

Ethyl 4-(2-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=C(C(=CC=C2)OC)O)C
InChI
InChI=1S/C15H18N2O5/c1-4-22-14(19)11-8(2)16-15(20)17-12(11)9-6-5-7-10(21-3)13(9)18/h5-7,12,18H,4H2,1-3H3,(H2,16,17,20)
InChIKey
KSUUYWXOWTWIFA-UHFFFAOYSA-N
Compound name
ethyl 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

306.12158 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 170.5
[M+Na]+ 329.11080 177.7
[M-H]- 305.11430 170.9
[M+NH4]+ 324.15540 180.9
[M+K]+ 345.08474 173.6
[M+H-H2O]+ 289.11884 162.4
[M+HCOO]- 351.11978 184.8
[M+CH3COO]- 365.13543 199.3
[M+Na-2H]- 327.09625 170.2
[M]+ 306.12103 169.7
[M]- 306.12213 169.7
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.