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 185.4
[M+Na]+ 377.13595 193.2
[M-H]- 353.13945 191.0
[M+NH4]+ 372.18055 198.9
[M+K]+ 393.10989 190.9
[M+H-H2O]+ 337.14399 179.0
[M+HCOO]- 399.14493 202.7
[M+CH3COO]- 413.16058 213.7
[M+Na-2H]- 375.12140 187.1
[M]+ 354.14618 192.8
[M]- 354.14728 192.8
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.