CID 511937

2-(4-benzoylphenoxy)pyridine-4-carbonitrile

Structural Information

Molecular Formula
C19H12N2O2
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC=CC(=C3)C#N
InChI
InChI=1S/C19H12N2O2/c20-13-14-10-11-21-18(12-14)23-17-8-6-16(7-9-17)19(22)15-4-2-1-3-5-15/h1-12H
InChIKey
MVABTSDCPNXKAP-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenoxy)pyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.08987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09715 174.6
[M+Na]+ 323.07909 184.3
[M-H]- 299.08259 180.3
[M+NH4]+ 318.12369 185.6
[M+K]+ 339.05303 176.7
[M+H-H2O]+ 283.08713 158.0
[M+HCOO]- 345.08807 192.6
[M+CH3COO]- 359.10372 183.8
[M+Na-2H]- 321.06454 178.4
[M]+ 300.08932 169.5
[M]- 300.09042 169.5
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.