CID 44260112

Neoraufurane

Structural Information

Molecular Formula
C20H18O5
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C=C(O3)C4=C(C=C(C=C4)O)O)C
InChI
InChI=1S/C20H18O5/c1-20(2)7-6-13-18(25-20)10-17-14(19(13)23-3)9-16(24-17)12-5-4-11(21)8-15(12)22/h4-10,21-22H,1-3H3
InChIKey
LROKNLVNTRTDCU-UHFFFAOYSA-N
Compound name
4-(4-methoxy-7,7-dimethylfuro[3,2-g]chromen-2-yl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.11542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 177.1
[M+Na]+ 361.10464 189.2
[M-H]- 337.10814 186.4
[M+NH4]+ 356.14924 193.4
[M+K]+ 377.07858 186.8
[M+H-H2O]+ 321.11268 170.7
[M+HCOO]- 383.11362 195.6
[M+CH3COO]- 397.12927 189.9
[M+Na-2H]- 359.09009 182.8
[M]+ 338.11487 184.3
[M]- 338.11597 184.3
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.