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-methoxy-3-pyridinyl)-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]+ 292.129196 168.0
[M+Na]+ 314.111138 175.4
[M-H]- 290.114644 168.1
[M+NH4]+ 309.155743 178.1
[M+K]+ 330.085078 171.2
[M+H-H2O]+ 274.119180 158.9
[M+HCOO]- 336.120121 182.6
[M+CH3COO]- 350.135771 197.8
[M+Na-2H]- 312.096586 169.2
[M]+ 291.12137142 167.2
[M]- 291.12246858 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.