CID 11392960

N-(4,6-diphenylpyrimidin-2-yl)butanamide

Structural Information

Molecular Formula
C20H19N3O
SMILES
CCCC(=O)NC1=NC(=CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O/c1-2-9-19(24)23-20-21-17(15-10-5-3-6-11-15)14-18(22-20)16-12-7-4-8-13-16/h3-8,10-14H,2,9H2,1H3,(H,21,22,23,24)
InChIKey
IGXLAZUQYPCBKI-UHFFFAOYSA-N
Compound name
N-(4,6-diphenylpyrimidin-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

317.1528 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16008 176.8
[M+Na]+ 340.14202 183.0
[M-H]- 316.14552 183.4
[M+NH4]+ 335.18662 187.4
[M+K]+ 356.11596 176.8
[M+H-H2O]+ 300.15006 165.5
[M+HCOO]- 362.15100 198.0
[M+CH3COO]- 376.16665 186.7
[M+Na-2H]- 338.12747 182.2
[M]+ 317.15225 176.2
[M]- 317.15335 176.2
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

patents stripe