CID 250746

6-amino-1-benzyluracil

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)N
InChI
InChI=1S/C11H11N3O2/c12-9-6-10(15)13-11(16)14(9)7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,15,16)
InChIKey
QMKJOZVQZBJSEC-UHFFFAOYSA-N
Compound name
6-amino-1-benzylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

135
Patents

217.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 145.8
[M+Na]+ 240.074348 155.8
[M-H]- 216.077854 149.0
[M+NH4]+ 235.118953 160.6
[M+K]+ 256.048288 150.6
[M+H-H2O]+ 200.082390 137.5
[M+HCOO]- 262.083331 168.2
[M+CH3COO]- 276.098981 186.3
[M+Na-2H]- 238.059796 152.3
[M]+ 217.08458142 143.9
[M]- 217.08567858 143.9
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

patents stripe