CID 131752971

(all-e)-1,7-bis(4-hydroxyphenyl)-1,4,6-heptatrien-3-one

Structural Information

Molecular Formula
C19H16O3
SMILES
C1=CC(=CC=C1/C=C/C=C/C(=O)/C=C\C2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H16O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1-14,21-22H/b3-1+,4-2+,10-7-
InChIKey
PALMCMYYFAHUGA-ZRFKDBLFSA-N
Compound name
(1Z,4E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10995 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 168.9
[M+Na]+ 315.09917 175.3
[M-H]- 291.10267 172.6
[M+NH4]+ 310.14377 182.8
[M+K]+ 331.07311 168.3
[M+H-H2O]+ 275.10721 161.5
[M+HCOO]- 337.10815 189.1
[M+CH3COO]- 351.12380 196.2
[M+Na-2H]- 313.08462 170.8
[M]+ 292.10940 167.4
[M]- 292.11050 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.