CID 3040877

2-(4-(dodecylthio)phenyl)quinoxaline

Structural Information

Molecular Formula
C26H34N2S
SMILES
CCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2
InChI
InChI=1S/C26H34N2S/c1-2-3-4-5-6-7-8-9-10-13-20-29-23-18-16-22(17-19-23)26-21-27-24-14-11-12-15-25(24)28-26/h11-12,14-19,21H,2-10,13,20H2,1H3
InChIKey
LMSUTKYEQMLGKU-UHFFFAOYSA-N
Compound name
2-(4-dodecylsulfanylphenyl)quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.24426 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25154 201.5
[M+Na]+ 429.23348 206.5
[M-H]- 405.23698 204.4
[M+NH4]+ 424.27808 211.2
[M+K]+ 445.20742 197.8
[M+H-H2O]+ 389.24152 190.5
[M+HCOO]- 451.24246 214.0
[M+CH3COO]- 465.25811 226.1
[M+Na-2H]- 427.21893 202.3
[M]+ 406.24371 207.1
[M]- 406.24481 207.1
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.