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

3
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 193.6
[M+Na]+ 517.11227 205.4
[M+NH4]+ 512.15687 205.1
[M+K]+ 533.08621 195.8
[M-H]- 493.11577 205.2
[M+Na-2H]- 515.09772 203.1
[M]+ 494.12250 200.6
[M]- 494.12360 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

patents stripe