CID 5387162

38132-62-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 163.7
[M+Na]+ 295.10934 171.3
[M-H]- 271.11284 171.0
[M+NH4]+ 290.15394 180.7
[M+K]+ 311.08328 165.1
[M+H-H2O]+ 255.11738 155.6
[M+HCOO]- 317.11832 185.4
[M+CH3COO]- 331.13397 175.6
[M+Na-2H]- 293.09479 169.0
[M]+ 272.11957 163.5
[M]- 272.12067 163.5
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

patents stripe