CID 5316782

Phellodensin d

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(C)(C1CC2=C(O1)C=C(C3=C2O[C@@H](CC3=O)C4=CC=C(C=C4)O)O)O
InChI
InChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1
InChIKey
ZBVQSGGQLPHKKZ-MYJWUSKBSA-N
Compound name
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 181.0
[M+Na]+ 379.11520 188.7
[M-H]- 355.11870 187.5
[M+NH4]+ 374.15980 193.3
[M+K]+ 395.08914 186.7
[M+H-H2O]+ 339.12324 175.6
[M+HCOO]- 401.12418 192.4
[M+CH3COO]- 415.13983 210.3
[M+Na-2H]- 377.10065 184.1
[M]+ 356.12543 182.2
[M]- 356.12653 182.2
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.