CID 54556309

137373-70-7

Structural Information

Molecular Formula
C28H30S4
SMILES
C1CCC(CC1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6CCCCC6
InChI
InChI=1S/C28H30S4/c1-3-7-19(8-4-1)21-11-13-23(29-21)25-15-17-27(31-25)28-18-16-26(32-28)24-14-12-22(30-24)20-9-5-2-6-10-20/h11-20H,1-10H2
InChIKey
ZNKBLKKUTYWWAK-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-[5-[5-(5-cyclohexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

494.12305 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.13033 218.4
[M+Na]+ 517.11227 230.0
[M-H]- 493.11577 236.1
[M+NH4]+ 512.15687 234.8
[M+K]+ 533.08621 222.2
[M+H-H2O]+ 477.12031 217.6
[M+HCOO]- 539.12125 224.0
[M+CH3COO]- 553.13690 227.7
[M+Na-2H]- 515.09772 208.9
[M]+ 494.12250 218.0
[M]- 494.12360 218.0
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