CID 3079965

Quinoxaline, 2-methyl-3-(pentylthio)-

Structural Information

Molecular Formula
C14H18N2S
SMILES
CCCCCSC1=NC2=CC=CC=C2N=C1C
InChI
InChI=1S/C14H18N2S/c1-3-4-7-10-17-14-11(2)15-12-8-5-6-9-13(12)16-14/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey
NPPMRPFZGZORJR-UHFFFAOYSA-N
Compound name
2-methyl-3-pentylsulfanylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 154.8
[M+Na]+ 269.10828 163.8
[M-H]- 245.11178 156.5
[M+NH4]+ 264.15288 171.7
[M+K]+ 285.08222 158.7
[M+H-H2O]+ 229.11632 147.1
[M+HCOO]- 291.11726 169.9
[M+CH3COO]- 305.13291 195.1
[M+Na-2H]- 267.09373 159.1
[M]+ 246.11851 159.2
[M]- 246.11961 159.2
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.