CID 3001570

5448-46-4

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
COC1=C(C=C2C(=C1)C(=S)C=NN2)OC
InChI
InChI=1S/C10H10N2O2S/c1-13-8-3-6-7(4-9(8)14-2)12-11-5-10(6)15/h3-5H,1-2H3,(H,12,15)
InChIKey
YCLJJPHBEOLSBA-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1H-cinnoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 144.0
[M+Na]+ 245.03552 155.2
[M-H]- 221.03902 145.4
[M+NH4]+ 240.08012 161.3
[M+K]+ 261.00946 150.5
[M+H-H2O]+ 205.04356 137.4
[M+HCOO]- 267.04450 159.5
[M+CH3COO]- 281.06015 185.1
[M+Na-2H]- 243.02097 149.4
[M]+ 222.04575 147.8
[M]- 222.04685 147.8
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.