CID 5270558

(e)-3-(2-amino-3-pyridyl)-1-(2-phenanthryl)prop-2-en-1-one

Structural Information

Molecular Formula
C22H16N2O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C(=O)/C=C/C4=C(N=CC=C4)N
InChI
InChI=1S/C22H16N2O/c23-22-16(5-3-13-24-22)10-12-21(25)18-9-11-20-17(14-18)8-7-15-4-1-2-6-19(15)20/h1-14H,(H2,23,24)/b12-10+
InChIKey
QLYUILVWRFGWRT-ZRDIBKRKSA-N
Compound name
(E)-3-(2-aminopyridin-3-yl)-1-phenanthren-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12625 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13353 177.3
[M+Na]+ 347.11547 186.2
[M-H]- 323.11897 184.0
[M+NH4]+ 342.16007 191.1
[M+K]+ 363.08941 178.2
[M+H-H2O]+ 307.12351 167.3
[M+HCOO]- 369.12445 198.2
[M+CH3COO]- 383.14010 187.9
[M+Na-2H]- 345.10092 184.4
[M]+ 324.12570 177.1
[M]- 324.12680 177.1
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.