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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.154006	185.4
[M+Na]+	377.135948	193.2
[M-H]-	353.139454	191.0
[M+NH4]+	372.180553	198.9
[M+K]+	393.109888	190.9
[M+H-H2O]+	337.143990	179.0
[M+HCOO]-	399.144931	202.7
[M+CH3COO]-	413.160581	213.7
[M+Na-2H]-	375.121396	187.1
[M]+	354.14618142	192.8
[M]-	354.14727858	192.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.