CID 236212

5-benzyluracil

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CC=C(C=C1)CC2=CNC(=O)NC2=O
InChI
InChI=1S/C11H10N2O2/c14-10-9(7-12-11(15)13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13,14,15)
InChIKey
RPZOVLGFKOOIRP-UHFFFAOYSA-N
Compound name
5-benzyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

103
Patents

202.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.5
[M+Na]+ 225.063448 151.0
[M-H]- 201.066954 143.4
[M+NH4]+ 220.108053 156.5
[M+K]+ 241.037388 145.4
[M+H-H2O]+ 185.071490 133.7
[M+HCOO]- 247.072431 162.0
[M+CH3COO]- 261.088081 178.2
[M+Na-2H]- 223.048896 148.9
[M]+ 202.07368142 139.1
[M]- 202.07477858 139.1
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

patents stripe