CID 42812

2,3-bis(carbomethoxymercapto)quinoxaline

Structural Information

Molecular Formula
C12H10N2O4S2
SMILES
COC(=O)SC1=NC2=CC=CC=C2N=C1SC(=O)OC
InChI
InChI=1S/C12H10N2O4S2/c1-17-11(15)19-9-10(20-12(16)18-2)14-8-6-4-3-5-7(8)13-9/h3-6H,1-2H3
InChIKey
GSGMRLJVCKMZIU-UHFFFAOYSA-N
Compound name
methyl (3-methoxycarbonylsulfanylquinoxalin-2-yl)sulfanylformate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0082 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.01548 163.4
[M+Na]+ 332.99742 172.4
[M-H]- 309.00092 165.2
[M+NH4]+ 328.04202 177.4
[M+K]+ 348.97136 168.4
[M+H-H2O]+ 293.00546 156.4
[M+HCOO]- 355.00640 172.8
[M+CH3COO]- 369.02205 199.3
[M+Na-2H]- 330.98287 165.8
[M]+ 310.00765 170.7
[M]- 310.00875 170.7
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

patents stripe