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]+ 383.18528 191.9
[M+Na]+ 405.16722 197.7
[M-H]- 381.17072 193.6
[M+NH4]+ 400.21182 201.4
[M+K]+ 421.14116 192.2
[M+H-H2O]+ 365.17526 184.9
[M+HCOO]- 427.17620 205.6
[M+CH3COO]- 441.19185 216.7
[M+Na-2H]- 403.15267 185.8
[M]+ 382.17745 192.2
[M]- 382.17855 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.