CID 480777

Gancaonin i

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C=C2C(=C1OC)C=C(O2)C3=C(C=C(C=C3)O)O)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)5-7-15-18(24-3)11-20-16(21(15)25-4)10-19(26-20)14-8-6-13(22)9-17(14)23/h5-6,8-11,22-23H,7H2,1-4H3
InChIKey
DKVBYQAVNNRVNN-UHFFFAOYSA-N
Compound name
4-[4,6-dimethoxy-5-(3-methylbut-2-enyl)-1-benzofuran-2-yl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

22
Patents

354.14673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 183.9
[M+Na]+ 377.135948 193.8
[M-H]- 353.139454 191.1
[M+NH4]+ 372.180553 197.9
[M+K]+ 393.109888 190.4
[M+H-H2O]+ 337.143990 177.2
[M+HCOO]- 399.144931 204.0
[M+CH3COO]- 413.160581 212.7
[M+Na-2H]- 375.121396 184.3
[M]+ 354.14618142 191.6
[M]- 354.14727858 191.6
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