CID 3040878

2-(4-(cyclohexylthio)phenyl)quinoxaline

Structural Information

Molecular Formula
C20H20N2S
SMILES
C1CCC(CC1)SC2=CC=C(C=C2)C3=NC4=CC=CC=C4N=C3
InChI
InChI=1S/C20H20N2S/c1-2-6-16(7-3-1)23-17-12-10-15(11-13-17)20-14-21-18-8-4-5-9-19(18)22-20/h4-5,8-14,16H,1-3,6-7H2
InChIKey
KGSVDOZXRMHGHR-UHFFFAOYSA-N
Compound name
2-(4-cyclohexylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1347 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14198 173.4
[M+Na]+ 343.12392 179.6
[M-H]- 319.12742 179.9
[M+NH4]+ 338.16852 185.8
[M+K]+ 359.09786 172.3
[M+H-H2O]+ 303.13196 163.0
[M+HCOO]- 365.13290 185.2
[M+CH3COO]- 379.14855 182.6
[M+Na-2H]- 341.10937 176.8
[M]+ 320.13415 170.3
[M]- 320.13525 170.3
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.