CID 5708426

56412-55-6

Structural Information

Molecular Formula
C20H16O
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H16O/c1-15-9-11-18(12-10-15)20(21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-14H,1H3/b14-13+
InChIKey
FWCCLQQDGFXYFH-BUHFOSPRSA-N
Compound name
(E)-1-(4-methylphenyl)-3-naphthalen-1-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.12012 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12740 164.3
[M+Na]+ 295.10934 181.2
[M+NH4]+ 290.15394 174.2
[M+K]+ 311.08328 170.9
[M-H]- 271.11284 170.5
[M+Na-2H]- 293.09479 174.6
[M]+ 272.11957 168.8
[M]- 272.12067 168.8
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.