CID 6476948

(e)-3-(9-phenanthryl)-1-(3-pyridyl)prop-2-en-1-one

Structural Information

Molecular Formula
C22H15NO
SMILES
C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)/C=C/C(=O)C4=CN=CC=C4
InChI
InChI=1S/C22H15NO/c24-22(18-7-5-13-23-15-18)12-11-17-14-16-6-1-2-8-19(16)21-10-4-3-9-20(17)21/h1-15H/b12-11+
InChIKey
ZILRQWZEGBKAOZ-VAWYXSNFSA-N
Compound name
(E)-3-phenanthren-9-yl-1-pyridin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

309.11536 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12264 173.3
[M+Na]+ 332.10458 182.0
[M-H]- 308.10808 180.1
[M+NH4]+ 327.14918 187.9
[M+K]+ 348.07852 174.3
[M+H-H2O]+ 292.11262 163.1
[M+HCOO]- 354.11356 193.7
[M+CH3COO]- 368.12921 184.3
[M+Na-2H]- 330.09003 181.3
[M]+ 309.11481 174.0
[M]- 309.11591 174.0
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

patents stripe