CID 379492

Nsc664153

Structural Information

Molecular Formula
C34H30O2
SMILES
C1=CC=C(C=C1)CC2=C(C(=C(C(=C2CC3=CC=CC=C3)O)O)CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C34H30O2/c35-33-31(23-27-17-9-3-10-18-27)29(21-25-13-5-1-6-14-25)30(22-26-15-7-2-8-16-26)32(34(33)36)24-28-19-11-4-12-20-28/h1-20,35-36H,21-24H2
InChIKey
DYGWEKPMLQKYLH-UHFFFAOYSA-N
Compound name
3,4,5,6-tetrabenzylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.22458 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.23186 221.4
[M+Na]+ 493.21380 225.9
[M-H]- 469.21730 233.1
[M+NH4]+ 488.25840 226.4
[M+K]+ 509.18774 216.4
[M+H-H2O]+ 453.22184 208.2
[M+HCOO]- 515.22278 238.9
[M+CH3COO]- 529.23843 227.9
[M+Na-2H]- 491.19925 220.8
[M]+ 470.22403 219.3
[M]- 470.22513 219.3
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.