CID 2344558

6-amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C18H18N4O2
SMILES
C1=CC=C(C=C1)CNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N
InChI
InChI=1S/C18H18N4O2/c19-16-15(20-11-13-7-3-1-4-8-13)17(23)21-18(24)22(16)12-14-9-5-2-6-10-14/h1-10,20H,11-12,19H2,(H,21,23,24)
InChIKey
NVWATUJGRHJHMC-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

322.14297 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15025 176.3
[M+Na]+ 345.13219 191.1
[M+NH4]+ 340.17679 182.5
[M+K]+ 361.10613 183.4
[M-H]- 321.13569 182.0
[M+Na-2H]- 343.11764 186.3
[M]+ 322.14242 179.9
[M]- 322.14352 179.9
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.