CID 641618

(4e,6e)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one

Structural Information

Molecular Formula
C19H18O2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H18O2/c20-18(13-10-17-11-14-19(21)15-12-17)9-5-4-8-16-6-2-1-3-7-16/h1-9,11-12,14-15,21H,10,13H2/b8-4+,9-5+
InChIKey
GIXGHUAQPPUMRA-KBXRYBNXSA-N
Compound name
(4E,6E)-1-(4-hydroxyphenyl)-7-phenylhepta-4,6-dien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

278.13068 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13796 166.8
[M+Na]+ 301.11990 172.4
[M-H]- 277.12340 171.4
[M+NH4]+ 296.16450 181.7
[M+K]+ 317.09384 166.2
[M+H-H2O]+ 261.12794 159.0
[M+HCOO]- 323.12888 188.0
[M+CH3COO]- 337.14453 196.7
[M+Na-2H]- 299.10535 169.7
[M]+ 278.13013 166.1
[M]- 278.13123 166.1
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

No patent data available for this compound.