CID 5324473

(1e,4z,6e)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one

Structural Information

Molecular Formula
C19H16O4
SMILES
C1=CC(=CC=C1/C=C/C(=C/C(=O)/C=C/C2=CC=C(C=C2)O)/O)O
InChI
InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-13,20-22H/b11-5+,12-6+,18-13-
InChIKey
YXAKCQIIROBKOP-HSSGTREWSA-N
Compound name
(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

82
Patents

308.10486 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.112136 172.4
[M+Na]+ 331.094078 177.9
[M-H]- 307.097584 174.7
[M+NH4]+ 326.138683 184.7
[M+K]+ 347.068018 171.3
[M+H-H2O]+ 291.102120 165.1
[M+HCOO]- 353.103061 190.2
[M+CH3COO]- 367.118711 196.9
[M+Na-2H]- 329.079526 172.6
[M]+ 308.10431142 169.9
[M]- 308.10540858 169.9
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