CID 6479053

(2z,4e)-3-hydroxy-1-(2-hydroxyphenyl)-5-(p-tolyl)penta-2,4-dien-1-one

Structural Information

Molecular Formula
C18H16O3
SMILES
CC1=CC=C(C=C1)/C=C/C(=O)/C=C(/C2=CC=CC=C2O)\O
InChI
InChI=1S/C18H16O3/c1-13-6-8-14(9-7-13)10-11-15(19)12-18(21)16-4-2-3-5-17(16)20/h2-12,20-21H,1H3/b11-10+,18-12-
InChIKey
NEEWELHHYPYTDS-DNUBFSQISA-N
Compound name
(1Z,4E)-1-hydroxy-1-(2-hydroxyphenyl)-5-(4-methylphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.10995 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11723 165.3
[M+Na]+ 303.09917 171.5
[M-H]- 279.10267 169.2
[M+NH4]+ 298.14377 179.6
[M+K]+ 319.07311 165.9
[M+H-H2O]+ 263.10721 158.2
[M+HCOO]- 325.10815 184.6
[M+CH3COO]- 339.12380 195.5
[M+Na-2H]- 301.08462 166.5
[M]+ 280.10940 163.6
[M]- 280.11050 163.6
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.