CID 387520

Nsc681426

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CCCCCCOC(=O)C1=C(C(=O)NC(=O)N1)N
InChI
InChI=1S/C11H17N3O4/c1-2-3-4-5-6-18-10(16)8-7(12)9(15)14-11(17)13-8/h2-6,12H2,1H3,(H2,13,14,15,17)
InChIKey
XUNMGUPDFBKPEL-UHFFFAOYSA-N
Compound name
hexyl 5-amino-2,4-dioxo-1H-pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1219 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 156.7
[M+Na]+ 278.111118 164.6
[M-H]- 254.114624 154.8
[M+NH4]+ 273.155723 169.4
[M+K]+ 294.085058 160.6
[M+H-H2O]+ 238.119160 149.1
[M+HCOO]- 300.120101 175.7
[M+CH3COO]- 314.135751 192.1
[M+Na-2H]- 276.096566 158.8
[M]+ 255.12135142 156.8
[M]- 255.12244858 156.8
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.