CID 15714484

Tephroleocarpin b

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(=C)/C=C/C1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=CC=C3)O)OC
InChI
InChI=1S/C21H20O4/c1-13(2)9-10-15-19(24-3)12-17(23)20-16(22)11-18(25-21(15)20)14-7-5-4-6-8-14/h4-10,12,18,23H,1,11H2,2-3H3/b10-9+/t18-/m0/s1
InChIKey
HIVLZZCXKATCJB-BBVFFXRHSA-N
Compound name
(2S)-5-hydroxy-7-methoxy-8-[(1E)-3-methylbuta-1,3-dienyl]-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 179.2
[M+Na]+ 359.12539 186.6
[M-H]- 335.12889 186.0
[M+NH4]+ 354.16999 192.0
[M+K]+ 375.09933 182.4
[M+H-H2O]+ 319.13343 171.2
[M+HCOO]- 381.13437 195.9
[M+CH3COO]- 395.15002 211.4
[M+Na-2H]- 357.11084 180.4
[M]+ 336.13562 180.2
[M]- 336.13672 180.2
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.