CID 236664

6,7-dimethoxy-4-(methylthio)cinnoline

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
COC1=C(C=C2C(=C1)C(=CN=N2)SC)OC
InChI
InChI=1S/C11H12N2O2S/c1-14-9-4-7-8(5-10(9)15-2)13-12-6-11(7)16-3/h4-6H,1-3H3
InChIKey
VNEJBDYIGYWEPU-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-4-methylsulfanylcinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

236.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 148.7
[M+Na]+ 259.05117 159.6
[M-H]- 235.05467 151.3
[M+NH4]+ 254.09577 166.1
[M+K]+ 275.02511 156.2
[M+H-H2O]+ 219.05921 141.4
[M+HCOO]- 281.06015 165.2
[M+CH3COO]- 295.07580 191.4
[M+Na-2H]- 257.03662 154.0
[M]+ 236.06140 155.4
[M]- 236.06250 155.4
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.