CID 44257446

Ficinin

Structural Information

Molecular Formula
C19H14O6
SMILES
COC1=C2C(=CC3=C1OCC4C3OC5=CC6=C(C=C45)OCO6)C=CO2
InChI
InChI=1S/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3
InChIKey
HWVHWRJPBZQEMD-UHFFFAOYSA-N
Compound name
9-methoxy-7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08632 166.4
[M+Na]+ 361.06826 178.0
[M-H]- 337.07176 178.9
[M+NH4]+ 356.11286 183.7
[M+K]+ 377.04220 179.6
[M+H-H2O]+ 321.07630 165.5
[M+HCOO]- 383.07724 181.6
[M+CH3COO]- 397.09289 180.2
[M+Na-2H]- 359.05371 171.2
[M]+ 338.07849 176.4
[M]- 338.07959 176.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe