CID 442542

Tephrowatsin a

Structural Information

Molecular Formula
C22H26O4
SMILES
CC(=CCC1=C2C(=C(C=C1OC)OC)[C@@H](C[C@H](O2)C3=CC=CC=C3)O)C
InChI
InChI=1S/C22H26O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,17-18,23H,11-12H2,1-4H3/t17-,18+/m1/s1
InChIKey
ADIMMCHZVYYGPW-MSOLQXFVSA-N
Compound name
(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

354.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 186.7
[M+Na]+ 377.17232 193.1
[M-H]- 353.17582 193.3
[M+NH4]+ 372.21692 199.0
[M+K]+ 393.14626 189.9
[M+H-H2O]+ 337.18036 178.3
[M+HCOO]- 399.18130 202.7
[M+CH3COO]- 413.19695 215.7
[M+Na-2H]- 375.15777 187.3
[M]+ 354.18255 189.5
[M]- 354.18365 189.5
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.