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]+ 254.14992 158.5
[M+Na]+ 276.13186 168.2
[M+NH4]+ 271.17646 163.0
[M+K]+ 292.10580 164.6
[M-H]- 252.13536 156.9
[M+Na-2H]- 274.11731 162.0
[M]+ 253.14209 159.0
[M]- 253.14319 159.0
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.