CID 3040946

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

Structural Information

Molecular Formula
C17H16N2S
SMILES
CCCSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C17H16N2S/c1-2-11-20-14-9-7-13(8-10-14)17-12-18-15-5-3-4-6-16(15)19-17/h3-10,12H,2,11H2,1H3
InChIKey
UZGDZYZLNQUIJY-UHFFFAOYSA-N
Compound name
2-(4-propylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10342 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.110696 162.8
[M+Na]+ 303.092638 172.1
[M-H]- 279.096144 167.6
[M+NH4]+ 298.137243 177.8
[M+K]+ 319.066578 165.4
[M+H-H2O]+ 263.100680 153.8
[M+HCOO]- 325.101621 178.5
[M+CH3COO]- 339.117271 174.1
[M+Na-2H]- 301.078086 168.2
[M]+ 280.10287142 165.6
[M]- 280.10396858 165.6
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.