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

2
Patents

310.0082 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.015476 163.4
[M+Na]+ 332.997418 172.4
[M-H]- 309.000924 165.2
[M+NH4]+ 328.042023 177.4
[M+K]+ 348.971358 168.4
[M+H-H2O]+ 293.005460 156.4
[M+HCOO]- 355.006401 172.8
[M+CH3COO]- 369.022051 199.3
[M+Na-2H]- 330.982866 165.8
[M]+ 310.00765142 170.7
[M]- 310.00874858 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