CID 509241

[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone

Structural Information

Molecular Formula
C23H26O5
SMILES
CC(=CCC1=CC(=C(C=C1O)O)C(=O)C2=C(C(=CC(=C2)O)O)CC=C(C)C)C
InChI
InChI=1S/C23H26O5/c1-13(2)5-7-15-9-19(22(27)12-20(15)25)23(28)18-10-16(24)11-21(26)17(18)8-6-14(3)4/h5-6,9-12,24-27H,7-8H2,1-4H3
InChIKey
BMUDTAKLMDAXPP-UHFFFAOYSA-N
Compound name
[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-[3,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.178 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.185276 191.9
[M+Na]+ 405.167218 197.7
[M-H]- 381.170724 193.6
[M+NH4]+ 400.211823 201.4
[M+K]+ 421.141158 192.2
[M+H-H2O]+ 365.175260 184.9
[M+HCOO]- 427.176201 205.6
[M+CH3COO]- 441.191851 216.7
[M+Na-2H]- 403.152666 185.8
[M]+ 382.17745142 192.2
[M]- 382.17854858 192.2
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

No patent data available for this compound.