CID 1550573

(2e,4e)-1-(2-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one

Structural Information

Molecular Formula
C17H14O2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H14O2/c18-16(15-11-5-7-13-17(15)19)12-6-4-10-14-8-2-1-3-9-14/h1-13,19H/b10-4+,12-6+
InChIKey
DXWDXKXZKZQFAW-PHFXQHTASA-N
Compound name
(2E,4E)-1-(2-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

250.09938 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 157.6
[M+Na]+ 273.08860 164.1
[M-H]- 249.09210 162.6
[M+NH4]+ 268.13320 173.7
[M+K]+ 289.06254 158.4
[M+H-H2O]+ 233.09664 150.3
[M+HCOO]- 295.09758 179.5
[M+CH3COO]- 309.11323 190.7
[M+Na-2H]- 271.07405 161.7
[M]+ 250.09883 156.2
[M]- 250.09993 156.2
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