CID 5098670

Thiophene, 3,4-diethyl-2,5-diphenyl-

Structural Information

Molecular Formula
C20H20S
SMILES
CCC1=C(SC(=C1CC)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H20S/c1-3-17-18(4-2)20(16-13-9-6-10-14-16)21-19(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
InChIKey
DFPDXKJFCKLSMX-UHFFFAOYSA-N
Compound name
3,4-diethyl-2,5-diphenylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12857 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13585 168.9
[M+Na]+ 315.11779 178.0
[M-H]- 291.12129 179.5
[M+NH4]+ 310.16239 187.3
[M+K]+ 331.09173 171.5
[M+H-H2O]+ 275.12583 161.6
[M+HCOO]- 337.12677 188.8
[M+CH3COO]- 351.14242 181.6
[M+Na-2H]- 313.10324 168.5
[M]+ 292.12802 172.1
[M]- 292.12912 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.