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]+ 332.13936 179.2
[M+Na]+ 354.12130 186.2
[M-H]- 330.12480 186.4
[M+NH4]+ 349.16590 189.3
[M+K]+ 370.09524 180.7
[M+H-H2O]+ 314.12934 168.2
[M+HCOO]- 376.13028 199.8
[M+CH3COO]- 390.14593 213.3
[M+Na-2H]- 352.10675 182.7
[M]+ 331.13153 179.2
[M]- 331.13263 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.