CID 2363676

571149-78-5

Structural Information

Molecular Formula
C16H22N4O3
SMILES
CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2OC)N
InChI
InChI=1S/C16H22N4O3/c1-3-4-9-20-14(17)13(15(21)19-16(20)22)18-10-11-7-5-6-8-12(11)23-2/h5-8,18H,3-4,9-10,17H2,1-2H3,(H,19,21,22)
InChIKey
FLSNRHFZAAEVJQ-UHFFFAOYSA-N
Compound name
6-amino-1-butyl-5-[(2-methoxyphenyl)methylamino]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.1692 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.176476 175.5
[M+Na]+ 341.158418 183.8
[M-H]- 317.161924 178.5
[M+NH4]+ 336.203023 186.2
[M+K]+ 357.132358 178.4
[M+H-H2O]+ 301.166460 165.9
[M+HCOO]- 363.167401 197.3
[M+CH3COO]- 377.183051 211.5
[M+Na-2H]- 339.143866 178.3
[M]+ 318.16865142 176.8
[M]- 318.16974858 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.