CID 3040875

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

Structural Information

Molecular Formula
C18H18N2S
SMILES
CCCCSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C18H18N2S/c1-2-3-12-21-15-10-8-14(9-11-15)18-13-19-16-6-4-5-7-17(16)20-18/h4-11,13H,2-3,12H2,1H3
InChIKey
UGJAMIHTZHXHTA-UHFFFAOYSA-N
Compound name
2-(4-butylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11908 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12636 167.2
[M+Na]+ 317.10830 176.0
[M-H]- 293.11180 171.8
[M+NH4]+ 312.15290 181.6
[M+K]+ 333.08224 169.1
[M+H-H2O]+ 277.11634 158.0
[M+HCOO]- 339.11728 182.5
[M+CH3COO]- 353.13293 178.1
[M+Na-2H]- 315.09375 172.1
[M]+ 294.11853 170.3
[M]- 294.11963 170.3
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.