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]+ 267.095046 158.4
[M+Na]+ 289.076988 168.2
[M-H]- 265.080494 163.4
[M+NH4]+ 284.121593 174.0
[M+K]+ 305.050928 161.7
[M+H-H2O]+ 249.085030 149.7
[M+HCOO]- 311.085971 174.4
[M+CH3COO]- 325.101621 170.2
[M+Na-2H]- 287.062436 164.3
[M]+ 266.08722142 160.9
[M]- 266.08831858 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.