CID 3040874

Quinoxaline, 2-(4-(ethylthio)phenyl)-

Structural Information

Molecular Formula
C16H14N2S
SMILES
CCSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C16H14N2S/c1-2-19-13-9-7-12(8-10-13)16-11-17-14-5-3-4-6-15(14)18-16/h3-11H,2H2,1H3
InChIKey
VSOBRHKTBVOZDL-UHFFFAOYSA-N
Compound name
2-(4-ethylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.08777 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 158.4
[M+Na]+ 289.07699 168.2
[M-H]- 265.08049 163.4
[M+NH4]+ 284.12159 174.0
[M+K]+ 305.05093 161.7
[M+H-H2O]+ 249.08503 149.7
[M+HCOO]- 311.08597 174.4
[M+CH3COO]- 325.10162 170.2
[M+Na-2H]- 287.06244 164.3
[M]+ 266.08722 160.9
[M]- 266.08832 160.9
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.