CID 3040876

Brn 0660662

Structural Information

Molecular Formula
C19H20N2S
SMILES
CC(C)CCSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C19H20N2S/c1-14(2)11-12-22-16-9-7-15(8-10-16)19-13-20-17-5-3-4-6-18(17)21-19/h3-10,13-14H,11-12H2,1-2H3
InChIKey
XXLSSFGQENJRJJ-UHFFFAOYSA-N
Compound name
2-[4-(3-methylbutylsulfanyl)phenyl]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1347 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14198 171.7
[M+Na]+ 331.12392 179.7
[M-H]- 307.12742 176.2
[M+NH4]+ 326.16852 185.4
[M+K]+ 347.09786 173.1
[M+H-H2O]+ 291.13196 162.4
[M+HCOO]- 353.13290 185.6
[M+CH3COO]- 367.14855 182.0
[M+Na-2H]- 329.10937 175.1
[M]+ 308.13415 174.6
[M]- 308.13525 174.6
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

No patent data available for this compound.