CID 3735703

330567-75-4

Structural Information

Molecular Formula
C17H20N2O6
SMILES
CC1=C(C(N(C(=O)N1)C(=O)C)C2=CC(=C(C=C2)OC)OC)C(=O)OC
InChI
InChI=1S/C17H20N2O6/c1-9-14(16(21)25-5)15(19(10(2)20)17(22)18-9)11-6-7-12(23-3)13(8-11)24-4/h6-8,15H,1-5H3,(H,18,22)
InChIKey
CJGJKMIHNWRWTA-UHFFFAOYSA-N
Compound name
methyl 3-acetyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13214 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13942 178.0
[M+Na]+ 371.12136 186.0
[M-H]- 347.12486 181.4
[M+NH4]+ 366.16596 188.2
[M+K]+ 387.09530 183.9
[M+H-H2O]+ 331.12940 169.4
[M+HCOO]- 393.13034 194.1
[M+CH3COO]- 407.14599 213.0
[M+Na-2H]- 369.10681 176.2
[M]+ 348.13159 182.1
[M]- 348.13269 182.1
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.