CID 608692

6-methyl-1-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H10N2O2
SMILES
CC1=CC(=O)NC(=O)N1C2=CC=CC=C2
InChI
InChI=1S/C11H10N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15)
InChIKey
MZDMOBOWCAGJFS-UHFFFAOYSA-N
Compound name
6-methyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

202.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08151 140.8
[M+Na]+ 225.06345 151.6
[M-H]- 201.06695 144.5
[M+NH4]+ 220.10805 156.8
[M+K]+ 241.03739 147.0
[M+H-H2O]+ 185.07149 132.9
[M+HCOO]- 247.07243 162.8
[M+CH3COO]- 261.08808 181.9
[M+Na-2H]- 223.04890 147.9
[M]+ 202.07368 140.6
[M]- 202.07478 140.6
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