CID 555872

N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)benzamide

Structural Information

Molecular Formula
C20H17N3O2
SMILES
CC1=C(C(=NC(=N1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C20H17N3O2/c1-13-17(14(2)24)19(23-20(25)16-11-7-4-8-12-16)22-18(21-13)15-9-5-3-6-10-15/h3-12H,1-2H3,(H,21,22,23,25)
InChIKey
NWOXBWXLABRUES-UHFFFAOYSA-N
Compound name
N-(5-acetyl-6-methyl-2-phenylpyrimidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

331.13208 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.139356 179.2
[M+Na]+ 354.121298 186.2
[M-H]- 330.124804 186.4
[M+NH4]+ 349.165903 189.3
[M+K]+ 370.095238 180.7
[M+H-H2O]+ 314.129340 168.2
[M+HCOO]- 376.130281 199.8
[M+CH3COO]- 390.145931 213.3
[M+Na-2H]- 352.106746 182.7
[M]+ 331.13153142 179.2
[M]- 331.13262858 179.2
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

No patent data available for this compound.