CID 10936790

Brosimacutin c

Structural Information

Molecular Formula
C20H22O5
SMILES
CC(C)(CCC1=C(C=CC2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
InChI
InChI=1S/C20H22O5/c1-20(2,24)10-9-15-16(22)8-7-14-17(23)11-18(25-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21-22,24H,9-11H2,1-2H3
InChIKey
RFBOXBGSYTWSBN-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14673 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 180.6
[M+Na]+ 365.13595 187.3
[M-H]- 341.13945 185.0
[M+NH4]+ 360.18055 191.9
[M+K]+ 381.10989 183.9
[M+H-H2O]+ 325.14399 173.5
[M+HCOO]- 387.14493 193.7
[M+CH3COO]- 401.16058 207.9
[M+Na-2H]- 363.12140 183.8
[M]+ 342.14618 180.9
[M]- 342.14728 180.9
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.