CID 11002308

Brosimacutin e

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(C)(C1CC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H20O5/c1-20(2,23)18-9-14-16(24-18)8-7-13-15(22)10-17(25-19(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
WLOCVXKIOFOGBF-ZENAZSQFSA-N
Compound name
(2S)-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[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 177.8
[M+Na]+ 363.12029 185.4
[M-H]- 339.12379 185.3
[M+NH4]+ 358.16489 191.3
[M+K]+ 379.09423 183.2
[M+H-H2O]+ 323.12833 172.1
[M+HCOO]- 385.12927 190.6
[M+CH3COO]- 399.14492 208.6
[M+Na-2H]- 361.10574 181.6
[M]+ 340.13052 178.7
[M]- 340.13162 178.7
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.