CID 90486423

881402-37-5

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CN=C(C=C2)OC)C
InChI
InChI=1S/C14H17N3O4/c1-4-21-13(18)11-8(2)16-14(19)17-12(11)9-5-6-10(20-3)15-7-9/h5-7,12H,4H2,1-3H3,(H2,16,17,19)
InChIKey
HZKHPVXTZFNRJP-UHFFFAOYSA-N
Compound name
ethyl 4-(6-methoxypyridin-3-yl)-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

291.12192 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 168.0
[M+Na]+ 314.11114 175.4
[M-H]- 290.11464 168.1
[M+NH4]+ 309.15574 178.1
[M+K]+ 330.08508 171.2
[M+H-H2O]+ 274.11918 158.9
[M+HCOO]- 336.12012 182.6
[M+CH3COO]- 350.13577 197.8
[M+Na-2H]- 312.09659 169.2
[M]+ 291.12137 167.2
[M]- 291.12247 167.2
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.