CID 3041191

Brn 0656057

Structural Information

Molecular Formula
C17H16N2S
SMILES
CC(C)SC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C17H16N2S/c1-12(2)20-14-9-7-13(8-10-14)17-11-18-15-5-3-4-6-16(15)19-17/h3-12H,1-2H3
InChIKey
WDMFPQDYDWSPND-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10342 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 162.9
[M+Na]+ 303.092638 171.8
[M-H]- 279.096144 167.8
[M+NH4]+ 298.137243 177.8
[M+K]+ 319.066578 165.6
[M+H-H2O]+ 263.100680 154.1
[M+HCOO]- 325.101621 177.5
[M+CH3COO]- 339.117271 174.1
[M+Na-2H]- 301.078086 167.3
[M]+ 280.10287142 165.1
[M]- 280.10396858 165.1
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.