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: 65
Patents: 202.07423 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	203.08151	141.5
[M+Na]+	225.06345	151.0
[M-H]-	201.06695	143.4
[M+NH4]+	220.10805	156.5
[M+K]+	241.03739	145.4
[M+H-H2O]+	185.07149	133.7
[M+HCOO]-	247.07243	162.0
[M+CH3COO]-	261.08808	178.2
[M+Na-2H]-	223.04890	148.9
[M]+	202.07368	139.1
[M]-	202.07478	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe