CID 264818

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

Structural Information

Molecular Formula
C11H12N4O2
SMILES
C1=CC=C(C=C1)CNC2=C(NC(=O)NC2=O)N
InChI
InChI=1S/C11H12N4O2/c12-9-8(10(16)15-11(17)14-9)13-6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H4,12,14,15,16,17)
InChIKey
BPKMXXXUDCOYFU-UHFFFAOYSA-N
Compound name
6-amino-5-(benzylamino)-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

232.09602 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10330 149.7
[M+Na]+ 255.08524 158.3
[M-H]- 231.08874 151.5
[M+NH4]+ 250.12984 162.7
[M+K]+ 271.05918 152.3
[M+H-H2O]+ 215.09328 141.3
[M+HCOO]- 277.09422 171.6
[M+CH3COO]- 291.10987 189.4
[M+Na-2H]- 253.07069 156.1
[M]+ 232.09547 145.3
[M]- 232.09657 145.3
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

patents stripe