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]+ 289.133526 167.0
[M+Na]+ 311.115468 171.3
[M-H]- 287.118974 174.4
[M+NH4]+ 306.160073 179.3
[M+K]+ 327.089408 166.2
[M+H-H2O]+ 271.123510 156.7
[M+HCOO]- 333.124451 188.9
[M+CH3COO]- 347.140101 177.2
[M+Na-2H]- 309.100916 173.1
[M]+ 288.12570142 164.2
[M]- 288.12679858 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.