CID 268112

95983-12-3

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CCOC(=O)C1=CN=C(NC1=O)NCC(C)(C)C
InChI
InChI=1S/C12H19N3O3/c1-5-18-10(17)8-6-13-11(15-9(8)16)14-7-12(2,3)4/h6H,5,7H2,1-4H3,(H2,13,14,15,16)
InChIKey
XYDFRBRJROYSKB-UHFFFAOYSA-N
Compound name
ethyl 2-(2,2-dimethylpropylamino)-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.149916 159.3
[M+Na]+ 276.131858 166.6
[M-H]- 252.135364 159.2
[M+NH4]+ 271.176463 173.1
[M+K]+ 292.105798 164.1
[M+H-H2O]+ 236.139900 151.9
[M+HCOO]- 298.140841 178.2
[M+CH3COO]- 312.156491 194.9
[M+Na-2H]- 274.117306 164.0
[M]+ 253.14209142 161.0
[M]- 253.14318858 161.0
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.