CID 23786382

Platyphyllenone

Structural Information

Molecular Formula
C19H20O3
SMILES
C1=CC(=CC=C1CC/C=C/C(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H20O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h2,4-6,8-9,11-14,21-22H,1,3,7,10H2/b4-2+
InChIKey
GIKJADRKBZHVCY-DUXPYHPUSA-N
Compound name
(E)-1,7-bis(4-hydroxyphenyl)hept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

296.14124 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 171.0
[M+Na]+ 319.13046 176.6
[M-H]- 295.13396 174.5
[M+NH4]+ 314.17506 184.7
[M+K]+ 335.10440 170.8
[M+H-H2O]+ 279.13850 163.3
[M+HCOO]- 341.13944 190.7
[M+CH3COO]- 355.15509 199.0
[M+Na-2H]- 317.11591 172.8
[M]+ 296.14069 171.0
[M]- 296.14179 171.0
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