CID 2341173

721415-06-1

Structural Information

Molecular Formula
C15H20N4O2
SMILES
CCCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)N
InChI
InChI=1S/C15H20N4O2/c1-2-3-9-19-13(16)12(14(20)18-15(19)21)17-10-11-7-5-4-6-8-11/h4-8,17H,2-3,9-10,16H2,1H3,(H,18,20,21)
InChIKey
BGAYUIQCNHNQSP-UHFFFAOYSA-N
Compound name
6-amino-5-(benzylamino)-1-butylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

288.15863 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.16591 167.7
[M+Na]+ 311.14785 175.9
[M-H]- 287.15135 170.5
[M+NH4]+ 306.19245 179.5
[M+K]+ 327.12179 169.9
[M+H-H2O]+ 271.15589 158.4
[M+HCOO]- 333.15683 189.7
[M+CH3COO]- 347.17248 205.0
[M+Na-2H]- 309.13330 171.8
[M]+ 288.15808 166.9
[M]- 288.15918 166.9
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.