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
1
Annotation Hits

4
References

25
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

literature stripe

Patent stripe

patents stripe