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

111
Patents

217.08513 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 145.8
[M+Na]+ 240.07435 155.8
[M-H]- 216.07785 149.0
[M+NH4]+ 235.11895 160.6
[M+K]+ 256.04829 150.6
[M+H-H2O]+ 200.08239 137.5
[M+HCOO]- 262.08333 168.2
[M+CH3COO]- 276.09898 186.3
[M+Na-2H]- 238.05980 152.3
[M]+ 217.08458 143.9
[M]- 217.08568 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