CID 6437306

3654-49-7

Structural Information

Molecular Formula

C₁₇H₁₄O₃

SMILES

C1=CC(=CC=C1/C=C/C(=O)/C=C/C2=CC=C(C=C2)O)O

InChI

InChI=1S/C17H14O3/c18-15-7-1-13(2-8-15)5-11-17(20)12-6-14-3-9-16(19)10-4-14/h1-12,18-19H/b11-5+,12-6+

InChIKey

FTEGUKWEUQPKIS-YDWXAUTNSA-N

Compound name

(1E,4E)-1,5-bis(4-hydroxyphenyl)penta-1,4-dien-3-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 16
References: 301
Patents: 266.0943 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe