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]+ 319.17648 175.5
[M+Na]+ 341.15842 183.8
[M-H]- 317.16192 178.5
[M+NH4]+ 336.20302 186.2
[M+K]+ 357.13236 178.4
[M+H-H2O]+ 301.16646 165.9
[M+HCOO]- 363.16740 197.3
[M+CH3COO]- 377.18305 211.5
[M+Na-2H]- 339.14387 178.3
[M]+ 318.16865 176.8
[M]- 318.16975 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.