CID 363124

Nsc627693

Structural Information

Molecular Formula
C28H20O2
SMILES
C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C28H20O2/c29-28(24-16-8-3-9-17-24)26-19-11-10-18-25(26)27(30-28,23-14-6-2-7-15-23)21-20-22-12-4-1-5-13-22/h1-19,29H
InChIKey
CQTISHGZIRFFLN-UHFFFAOYSA-N
Compound name
1,3-diphenyl-3-(2-phenylethynyl)-2-benzofuran-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.14633 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15361 207.7
[M+Na]+ 411.13555 220.1
[M-H]- 387.13905 216.4
[M+NH4]+ 406.18015 220.8
[M+K]+ 427.10949 206.1
[M+H-H2O]+ 371.14359 191.5
[M+HCOO]- 433.14453 221.2
[M+CH3COO]- 447.16018 215.4
[M+Na-2H]- 409.12100 209.3
[M]+ 388.14578 200.6
[M]- 388.14688 200.6
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.