CID 5712120

3-(2-naphthalenyl)-1-phenyl-2-propen-1-one

Structural Information

Molecular Formula
C19H14O
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C19H14O/c20-19(17-7-2-1-3-8-17)13-11-15-10-12-16-6-4-5-9-18(16)14-15/h1-14H/b13-11+
InChIKey
PPOCACRLAHOHAW-ACCUITESSA-N
Compound name
(E)-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

26
Patents

258.10446 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11174 159.3
[M+Na]+ 281.09368 166.4
[M-H]- 257.09718 166.4
[M+NH4]+ 276.13828 176.5
[M+K]+ 297.06762 160.4
[M+H-H2O]+ 241.10172 151.2
[M+HCOO]- 303.10266 181.3
[M+CH3COO]- 317.11831 171.3
[M+Na-2H]- 279.07913 165.8
[M]+ 258.10391 158.4
[M]- 258.10501 158.4
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.