CID 11392960

Luf-5735

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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.