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]+ 223.053576 144.0
[M+Na]+ 245.035518 155.2
[M-H]- 221.039024 145.4
[M+NH4]+ 240.080123 161.3
[M+K]+ 261.009458 150.5
[M+H-H2O]+ 205.043560 137.4
[M+HCOO]- 267.044501 159.5
[M+CH3COO]- 281.060151 185.1
[M+Na-2H]- 243.020966 149.4
[M]+ 222.04575142 147.8
[M]- 222.04684858 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.