CID 10893739

Brosimacutin h

Structural Information

Molecular Formula
C20H24O6
SMILES
CC(C)(C(CC1=C(C=CC(=C1O)C(=O)CCC2=CC=C(C=C2)O)O)O)O
InChI
InChI=1S/C20H24O6/c1-20(2,26)18(24)11-15-17(23)10-8-14(19(15)25)16(22)9-5-12-3-6-13(21)7-4-12/h3-4,6-8,10,18,21,23-26H,5,9,11H2,1-2H3
InChIKey
ACJAQJHYAGLMOL-UHFFFAOYSA-N
Compound name
1-[3-(2,3-dihydroxy-3-methylbutyl)-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1573 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 184.4
[M+Na]+ 383.14652 189.0
[M-H]- 359.15002 184.6
[M+NH4]+ 378.19112 193.5
[M+K]+ 399.12046 185.1
[M+H-H2O]+ 343.15456 177.7
[M+HCOO]- 405.15550 196.8
[M+CH3COO]- 419.17115 207.4
[M+Na-2H]- 381.13197 183.1
[M]+ 360.15675 184.2
[M]- 360.15785 184.2
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.