CID 31559

2-phenyl-2-(2-pyridylamino)acetophenone, hydrochloride

Structural Information

Molecular Formula
C19H16N2O
SMILES
C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC=N3
InChI
InChI=1S/C19H16N2O/c22-19(16-11-5-2-6-12-16)18(15-9-3-1-4-10-15)21-17-13-7-8-14-20-17/h1-14,18H,(H,20,21)
InChIKey
OAZPJCNMJSFIOI-UHFFFAOYSA-N
Compound name
1,2-diphenyl-2-(pyridin-2-ylamino)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

288.12625 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13353 167.0
[M+Na]+ 311.11547 171.3
[M-H]- 287.11897 174.4
[M+NH4]+ 306.16007 179.3
[M+K]+ 327.08941 166.2
[M+H-H2O]+ 271.12351 156.7
[M+HCOO]- 333.12445 188.9
[M+CH3COO]- 347.14010 177.2
[M+Na-2H]- 309.10092 173.1
[M]+ 288.12570 164.2
[M]- 288.12680 164.2
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.