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]+ 353.138346 183.7
[M+Na]+ 375.120288 192.3
[M-H]- 351.123794 190.7
[M+NH4]+ 370.164893 197.9
[M+K]+ 391.094228 190.2
[M+H-H2O]+ 335.128330 177.2
[M+HCOO]- 397.129271 202.7
[M+CH3COO]- 411.144921 215.3
[M+Na-2H]- 373.105736 185.9
[M]+ 352.13052142 192.2
[M]- 352.13161858 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.