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]+ 247.126336 154.8
[M+Na]+ 269.108278 163.8
[M-H]- 245.111784 156.5
[M+NH4]+ 264.152883 171.7
[M+K]+ 285.082218 158.7
[M+H-H2O]+ 229.116320 147.1
[M+HCOO]- 291.117261 169.9
[M+CH3COO]- 305.132911 195.1
[M+Na-2H]- 267.093726 159.1
[M]+ 246.11851142 159.2
[M]- 246.11960858 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.