CID 3656820

92575-64-9

Structural Information

Molecular Formula
C11H17N3O3
SMILES
CCN(CC)C1=NC=C(C(=O)N1)C(=O)OCC
InChI
InChI=1S/C11H17N3O3/c1-4-14(5-2)11-12-7-8(9(15)13-11)10(16)17-6-3/h7H,4-6H2,1-3H3,(H,12,13,15)
InChIKey
SIRHVXKNZNIEEV-UHFFFAOYSA-N
Compound name
ethyl 2-(diethylamino)-6-oxo-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 153.3
[M+Na]+ 262.11622 160.8
[M-H]- 238.11972 154.5
[M+NH4]+ 257.16082 168.2
[M+K]+ 278.09016 159.4
[M+H-H2O]+ 222.12426 145.3
[M+HCOO]- 284.12520 174.7
[M+CH3COO]- 298.14085 195.5
[M+Na-2H]- 260.10167 157.1
[M]+ 239.12645 156.6
[M]- 239.12755 156.6
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.