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]+ 256.12918 156.7
[M+Na]+ 278.11112 164.6
[M-H]- 254.11462 154.8
[M+NH4]+ 273.15572 169.4
[M+K]+ 294.08506 160.6
[M+H-H2O]+ 238.11916 149.1
[M+HCOO]- 300.12010 175.7
[M+CH3COO]- 314.13575 192.1
[M+Na-2H]- 276.09657 158.8
[M]+ 255.12135 156.8
[M]- 255.12245 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.