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]+ 281.11070 162.9
[M+Na]+ 303.09264 171.8
[M-H]- 279.09614 167.8
[M+NH4]+ 298.13724 177.8
[M+K]+ 319.06658 165.6
[M+H-H2O]+ 263.10068 154.1
[M+HCOO]- 325.10162 177.5
[M+CH3COO]- 339.11727 174.1
[M+Na-2H]- 301.07809 167.3
[M]+ 280.10287 165.1
[M]- 280.10397 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.