CID 42607933

Tomentosanol d

Structural Information

Molecular Formula
C20H20O6
SMILES
CC(=C)C(CC1=C2C(=C(C=C1O)O)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3/t14?,18-/m0/s1
InChIKey
BCWBBALYWWRPII-IBYPIGCZSA-N
Compound name
(2S)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 182.2
[M+Na]+ 379.11520 188.4
[M-H]- 355.11870 185.4
[M+NH4]+ 374.15980 192.0
[M+K]+ 395.08914 185.1
[M+H-H2O]+ 339.12324 175.0
[M+HCOO]- 401.12418 193.7
[M+CH3COO]- 415.13983 210.5
[M+Na-2H]- 377.10065 181.1
[M]+ 356.12543 181.2
[M]- 356.12653 181.2
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.