CID 71579376

Gramniphenol c

Structural Information

Molecular Formula
C20H20O6
SMILES
COC1=CC2=C(C=C1)O[C@@H](C=C2)C3=C(C(=C(C=C3)O)C(=O)CCO)OC
InChI
InChI=1S/C20H20O6/c1-24-13-4-8-17-12(11-13)3-7-18(26-17)14-5-6-15(22)19(20(14)25-2)16(23)9-10-21/h3-8,11,18,21-22H,9-10H2,1-2H3/t18-/m0/s1
InChIKey
FJRLGZIVEMDILD-SFHVURJKSA-N
Compound name
3-hydroxy-1-[6-hydroxy-2-methoxy-3-[(2S)-6-methoxy-2H-chromen-2-yl]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

356.12598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.1
[M+Na]+ 379.11520 189.3
[M-H]- 355.11870 188.0
[M+NH4]+ 374.15980 193.3
[M+K]+ 395.08914 187.2
[M+H-H2O]+ 339.12324 173.7
[M+HCOO]- 401.12418 198.9
[M+CH3COO]- 415.13983 212.4
[M+Na-2H]- 377.10065 184.5
[M]+ 356.12543 186.8
[M]- 356.12653 186.8
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.