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]+ 361.164576 184.4
[M+Na]+ 383.146518 189.0
[M-H]- 359.150024 184.6
[M+NH4]+ 378.191123 193.5
[M+K]+ 399.120458 185.1
[M+H-H2O]+ 343.154560 177.7
[M+HCOO]- 405.155501 196.8
[M+CH3COO]- 419.171151 207.4
[M+Na-2H]- 381.131966 183.1
[M]+ 360.15675142 184.2
[M]- 360.15784858 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.