CID 169320

31559-43-0

Structural Information

Molecular Formula
C34H22O2
SMILES
C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(C4=CC5=CC=CC=C5C=C42)(C#CC6=CC=CC=C6)O)O
InChI
InChI=1S/C34H22O2/c35-33(21-19-25-11-3-1-4-12-25)29-17-9-10-18-30(29)34(36,22-20-26-13-5-2-6-14-26)32-24-28-16-8-7-15-27(28)23-31(32)33/h1-18,23-24,35-36H
InChIKey
YMKQDNKFEZLLTK-UHFFFAOYSA-N
Compound name
5,12-bis(2-phenylethynyl)tetracene-5,12-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.162 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16928 231.9
[M+Na]+ 485.15122 246.4
[M-H]- 461.15472 235.1
[M+NH4]+ 480.19582 240.0
[M+K]+ 501.12516 224.7
[M+H-H2O]+ 445.15926 214.2
[M+HCOO]- 507.16020 234.6
[M+CH3COO]- 521.17585 233.9
[M+Na-2H]- 483.13667 230.2
[M]+ 462.16145 220.8
[M]- 462.16255 220.8
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