CID 592640

5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1h-pyrimidin-2-one

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C13H14N2O2/c1-8-11(9(2)16)12(15-13(17)14-8)10-6-4-3-5-7-10/h3-7,12H,1-2H3,(H2,14,15,17)
InChIKey
HDBCLYQJIRLJOB-UHFFFAOYSA-N
Compound name
5-acetyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

16
Patents

230.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 152.6
[M+Na]+ 253.09475 159.8
[M-H]- 229.09825 153.9
[M+NH4]+ 248.13935 166.4
[M+K]+ 269.06869 154.8
[M+H-H2O]+ 213.10279 144.7
[M+HCOO]- 275.10373 168.6
[M+CH3COO]- 289.11938 186.9
[M+Na-2H]- 251.08020 155.0
[M]+ 230.10498 147.8
[M]- 230.10608 147.8
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