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 159.3
[M+Na]+ 276.13186 166.6
[M-H]- 252.13536 159.2
[M+NH4]+ 271.17646 173.1
[M+K]+ 292.10580 164.1
[M+H-H2O]+ 236.13990 151.9
[M+HCOO]- 298.14084 178.2
[M+CH3COO]- 312.15649 194.9
[M+Na-2H]- 274.11731 164.0
[M]+ 253.14209 161.0
[M]- 253.14319 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.