CID 387519

Nsc681425

Structural Information

Molecular Formula
C11H18N4O4
SMILES
CCN(CC)CCOC(=O)C1=C(C(=O)NC(=O)N1)N
InChI
InChI=1S/C11H18N4O4/c1-3-15(4-2)5-6-19-10(17)8-7(12)9(16)14-11(18)13-8/h3-6,12H2,1-2H3,(H2,13,14,16,18)
InChIKey
SHEPBRSBSNVSFL-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1328 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.140076 160.0
[M+Na]+ 293.122018 167.2
[M-H]- 269.125524 159.7
[M+NH4]+ 288.166623 172.4
[M+K]+ 309.095958 164.7
[M+H-H2O]+ 253.130060 151.9
[M+HCOO]- 315.131001 180.6
[M+CH3COO]- 329.146651 200.7
[M+Na-2H]- 291.107466 161.9
[M]+ 270.13225142 160.7
[M]- 270.13334858 160.7
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.