CID 42607874

Tephrowatsin c

Structural Information

Molecular Formula
C21H24O5
SMILES
CC(C)(CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=CC=C3)O)OC)O
InChI
InChI=1S/C21H24O5/c1-21(2,24)10-9-14-18(25-3)12-16(23)19-15(22)11-17(26-20(14)19)13-7-5-4-6-8-13/h4-8,12,17,23-24H,9-11H2,1-3H3
InChIKey
OHGGGSHTYPJICB-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.9
[M+Na]+ 379.15160 191.6
[M-H]- 355.15510 190.5
[M+NH4]+ 374.19620 196.3
[M+K]+ 395.12554 188.7
[M+H-H2O]+ 339.15964 177.2
[M+HCOO]- 401.16058 199.2
[M+CH3COO]- 415.17623 213.0
[M+Na-2H]- 377.13705 188.0
[M]+ 356.16183 187.2
[M]- 356.16293 187.2
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.