CID 14284670

6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-3,16-dione

Structural Information

Molecular Formula
C20H18O14
SMILES
C1C2C(C(C(C(O2)O)O)OC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O1)O)O)O)O)O)O)O
InChI
InChI=1S/C20H18O14/c21-6-1-4-9(14(26)11(6)23)10-5(2-7(22)12(24)15(10)27)19(30)34-17-13(25)8(3-32-18(4)29)33-20(31)16(17)28/h1-2,8,13,16-17,20-28,31H,3H2
InChIKey
ZPGCONCPIPNNOE-UHFFFAOYSA-N
Compound name
6,7,8,11,12,13,21,22,23-nonahydroxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaene-3,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.06964 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.07692 211.5
[M+Na]+ 505.05886 212.4
[M+NH4]+ 500.10346 211.2
[M+K]+ 521.03280 218.2
[M-H]- 481.06236 204.6
[M+Na-2H]- 503.04431 227.0
[M]+ 482.06909 209.0
[M]- 482.07019 209.0
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.