CID 10914766

Brosimacutin d

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1(C(CC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=CC=C(C=C4)O)O)C
InChI
InChI=1S/C20H20O5/c1-20(2)18(23)9-14-16(25-20)8-7-13-15(22)10-17(24-19(13)14)11-3-5-12(21)6-4-11/h3-8,17-18,21,23H,9-10H2,1-2H3/t17-,18?/m0/s1
InChIKey
AZGSCHIQUAKTNP-ZENAZSQFSA-N
Compound name
(2S)-9-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.0
[M+Na]+ 363.12029 187.4
[M-H]- 339.12379 186.4
[M+NH4]+ 358.16489 192.7
[M+K]+ 379.09423 185.2
[M+H-H2O]+ 323.12833 170.9
[M+HCOO]- 385.12927 190.9
[M+CH3COO]- 399.14492 189.3
[M+Na-2H]- 361.10574 183.6
[M]+ 340.13052 178.8
[M]- 340.13162 178.8
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.