CID 5388077

1-(anthracen-9-yl)-3-phenylprop-2-en-1-one

Structural Information

Molecular Formula
C23H16O
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C23H16O/c24-22(15-14-17-8-2-1-3-9-17)23-20-12-6-4-10-18(20)16-19-11-5-7-13-21(19)23/h1-16H/b15-14+
InChIKey
VRBVYRUYQIRTOW-CCEZHUSRSA-N
Compound name
(E)-1-anthracen-9-yl-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

308.12012 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12740 173.1
[M+Na]+ 331.10934 181.4
[M-H]- 307.11284 181.2
[M+NH4]+ 326.15394 189.2
[M+K]+ 347.08328 173.8
[M+H-H2O]+ 291.11738 163.8
[M+HCOO]- 353.11832 194.5
[M+CH3COO]- 367.13397 184.4
[M+Na-2H]- 329.09479 180.4
[M]+ 308.11957 173.6
[M]- 308.12067 173.6
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