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

literature stripe

Patent stripe

patents stripe