CID 24212668

853316-79-7

Structural Information

Molecular Formula
C12H12ClN3O3
SMILES
CC1=C(C(NC(=O)N1)C2=C(C=NC=C2)Cl)C(=O)OC
InChI
InChI=1S/C12H12ClN3O3/c1-6-9(11(17)19-2)10(16-12(18)15-6)7-3-4-14-5-8(7)13/h3-5,10H,1-2H3,(H2,15,16,18)
InChIKey
UWGGNAUACPPYGK-UHFFFAOYSA-N
Compound name
methyl 4-(3-chloropyridin-4-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

281.05673 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06401 161.4
[M+Na]+ 304.04595 174.7
[M+NH4]+ 299.09055 166.8
[M+K]+ 320.01989 169.4
[M-H]- 280.04945 161.6
[M+Na-2H]- 302.03140 166.4
[M]+ 281.05618 163.3
[M]- 281.05728 163.3
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.