CID 14323645

85391-01-1

Structural Information

Molecular Formula
C28H28O5
SMILES
CCCCOC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OCCCC)C5=CC=CC=C5C(=O)O3
InChI
InChI=1S/C28H28O5/c1-3-5-15-30-19-11-13-23-25(17-19)32-26-18-20(31-16-6-4-2)12-14-24(26)28(23)22-10-8-7-9-21(22)27(29)33-28/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKey
NISVSXJMPPNUMP-UHFFFAOYSA-N
Compound name
3',6'-dibutoxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.19366 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20094 209.9
[M+Na]+ 467.18288 218.1
[M-H]- 443.18638 219.1
[M+NH4]+ 462.22748 223.4
[M+K]+ 483.15682 214.5
[M+H-H2O]+ 427.19092 200.2
[M+HCOO]- 489.19186 225.0
[M+CH3COO]- 503.20751 219.2
[M+Na-2H]- 465.16833 213.2
[M]+ 444.19311 217.7
[M]- 444.19421 217.7
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.