CID 5317598

Alnustone

Structural Information

Molecular Formula
C19H18O
SMILES
C1=CC=C(C=C1)CCC(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C19H18O/c20-19(16-15-18-11-5-2-6-12-18)14-8-7-13-17-9-3-1-4-10-17/h1-14H,15-16H2/b13-7+,14-8+
InChIKey
OWMJDOUOHDOUFG-FNCQTZNRSA-N
Compound name
(4E,6E)-1,7-diphenylhepta-4,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

26
Patents

262.13577 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.14305 163.5
[M+Na]+ 285.12499 168.7
[M-H]- 261.12849 169.1
[M+NH4]+ 280.16959 179.5
[M+K]+ 301.09893 162.7
[M+H-H2O]+ 245.13303 155.5
[M+HCOO]- 307.13397 186.0
[M+CH3COO]- 321.14962 196.2
[M+Na-2H]- 283.11044 167.6
[M]+ 262.13522 162.8
[M]- 262.13632 162.8
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