CID 11792299

Lansiumarin a

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=C)C(=O)CC/C(=C/COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)/C
InChI
InChI=1S/C21H20O5/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/h5,7-9,11-12H,1,4,6,10H2,2-3H3/b14-8+
InChIKey
XWVDCVZOOVTJKF-RIYZIHGNSA-N
Compound name
9-[(2E)-3,7-dimethyl-6-oxoocta-2,7-dienoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13107 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 183.7
[M+Na]+ 375.12029 192.3
[M-H]- 351.12379 190.7
[M+NH4]+ 370.16489 197.9
[M+K]+ 391.09423 190.2
[M+H-H2O]+ 335.12833 177.2
[M+HCOO]- 397.12927 202.7
[M+CH3COO]- 411.14492 215.3
[M+Na-2H]- 373.10574 185.9
[M]+ 352.13052 192.2
[M]- 352.13162 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

No patent data available for this compound.