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]+ 271.14008 160.0
[M+Na]+ 293.12202 167.2
[M-H]- 269.12552 159.7
[M+NH4]+ 288.16662 172.4
[M+K]+ 309.09596 164.7
[M+H-H2O]+ 253.13006 151.9
[M+HCOO]- 315.13100 180.6
[M+CH3COO]- 329.14665 200.7
[M+Na-2H]- 291.10747 161.9
[M]+ 270.13225 160.7
[M]- 270.13335 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.