CID 10498320

Lansiumarin c

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=C)C(CC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C)O
InChI
InChI=1S/C21H22O5/c1-13(2)17(22)6-4-14(3)8-10-25-21-19-16(9-11-24-19)12-15-5-7-18(23)26-20(15)21/h5,7-9,11-12,17,22H,1,4,6,10H2,2-3H3/b14-8+
InChIKey
DBHLROWQWPSCQG-RIYZIHGNSA-N
Compound name
9-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dienoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 182.4
[M+Na]+ 377.13595 194.7
[M+NH4]+ 372.18055 188.3
[M+K]+ 393.10989 191.2
[M-H]- 353.13945 185.5
[M+Na-2H]- 375.12140 184.0
[M]+ 354.14618 184.9
[M]- 354.14728 184.9
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

No patent data available for this compound.