CID 98176

1,5-bis(2-hydroxyphenyl)-1,4-pentadien-3-one

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC=C(C(=C1)C=CC(=O)C=CC2=CC=CC=C2O)O
InChI
InChI=1S/C17H14O3/c18-15(11-9-13-5-1-3-7-16(13)19)12-10-14-6-2-4-8-17(14)20/h1-12,19-20H
InChIKey
YNVAHBUBGBLIEY-UHFFFAOYSA-N
Compound name
1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

298
Patents

266.0943 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 160.8
[M+Na]+ 289.083518 167.7
[M-H]- 265.087024 164.8
[M+NH4]+ 284.128123 175.8
[M+K]+ 305.057458 161.8
[M+H-H2O]+ 249.091560 153.7
[M+HCOO]- 311.092501 181.4
[M+CH3COO]- 325.108151 191.6
[M+Na-2H]- 287.068966 163.7
[M]+ 266.09375142 159.4
[M]- 266.09484858 159.4
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