CID 21599890

Floranol

Structural Information

Molecular Formula
C21H22O7
SMILES
CC(=CCC1=C(C(=C(C2=C1O[C@@H]([C@H](C2=O)O)C3=CC=CC=C3O)O)OC)O)C
InChI
InChI=1S/C21H22O7/c1-10(2)8-9-12-15(23)21(27-3)17(25)14-16(24)18(26)20(28-19(12)14)11-6-4-5-7-13(11)22/h4-8,18,20,22-23,25-26H,9H2,1-3H3/t18-,20+/m0/s1
InChIKey
XZNFAYXFFDZGJD-AZUAARDMSA-N
Compound name
(2R,3R)-3,5,7-trihydroxy-2-(2-hydroxyphenyl)-6-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

81
Patents

386.13657 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.143846 190.1
[M+Na]+ 409.125788 197.7
[M-H]- 385.129294 193.8
[M+NH4]+ 404.170393 199.2
[M+K]+ 425.099728 194.6
[M+H-H2O]+ 369.133830 182.6
[M+HCOO]- 431.134771 202.2
[M+CH3COO]- 445.150421 217.1
[M+Na-2H]- 407.111236 188.4
[M]+ 386.13602142 192.2
[M]- 386.13711858 192.2
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

patents stripe