CID 77148720

Schembl23069335

Structural Information

Molecular Formula
C20H22O6
SMILES
C1=CC=C(C=C1)C=C(C(C(C(C(C(=CC2=CC=CC=C2)O)O)O)O)O)O
InChI
InChI=1S/C20H22O6/c21-15(11-13-7-3-1-4-8-13)17(23)19(25)20(26)18(24)16(22)12-14-9-5-2-6-10-14/h1-12,17-26H
InChIKey
NWXADGGHXYSLSP-UHFFFAOYSA-N
Compound name
1,8-diphenylocta-1,7-diene-2,3,4,5,6,7-hexol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

358.14163 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.148906 184.5
[M+Na]+ 381.130848 184.0
[M-H]- 357.134354 181.7
[M+NH4]+ 376.175453 191.3
[M+K]+ 397.104788 180.2
[M+H-H2O]+ 341.138890 177.3
[M+HCOO]- 403.139831 193.3
[M+CH3COO]- 417.155481 201.7
[M+Na-2H]- 379.116296 179.6
[M]+ 358.14108142 177.9
[M]- 358.14217858 177.9
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

patents stripe