CID 3044067

56714-11-5

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
C1C2C(CS1(=O)=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C10H12N2O2S/c13-15(14)5-9-10(6-15)12-8-4-2-1-3-7(8)11-9/h1-4,9-12H,5-6H2
InChIKey
NWKHHQLOAXTGLM-UHFFFAOYSA-N
Compound name
1,3,3a,4,9,9a-hexahydrothieno[3,4-b]quinoxaline 2,2-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 146.6
[M+Na]+ 247.05117 157.4
[M+NH4]+ 242.09577 156.5
[M+K]+ 263.02511 149.5
[M-H]- 223.05467 146.8
[M+Na-2H]- 245.03662 150.7
[M]+ 224.06140 148.6
[M]- 224.06250 148.6
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.