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]+ 323.150246 175.5
[M+Na]+ 345.132188 183.5
[M-H]- 321.135694 181.4
[M+NH4]+ 340.176793 185.2
[M+K]+ 361.106128 176.2
[M+H-H2O]+ 305.140230 164.8
[M+HCOO]- 367.141171 197.7
[M+CH3COO]- 381.156821 185.4
[M+Na-2H]- 343.117636 180.7
[M]+ 322.14242142 173.1
[M]- 322.14351858 173.1
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.