CID 3011113

6,9-dimethoxy-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
COC1=C2CCC3=C(C2=C(C=C1)OC)N=NS3
InChI
InChI=1S/C12H12N2O2S/c1-15-8-4-5-9(16-2)11-7(8)3-6-10-12(11)13-14-17-10/h4-5H,3,6H2,1-2H3
InChIKey
FLBOSFRLABEJAV-UHFFFAOYSA-N
Compound name
6,9-dimethoxy-4,5-dihydrobenzo[e][1,2,3]benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

248.06195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 151.8
[M+Na]+ 271.05117 162.9
[M-H]- 247.05467 155.4
[M+NH4]+ 266.09577 171.6
[M+K]+ 287.02511 159.4
[M+H-H2O]+ 231.05921 145.4
[M+HCOO]- 293.06015 167.5
[M+CH3COO]- 307.07580 164.8
[M+Na-2H]- 269.03662 156.1
[M]+ 248.06140 157.5
[M]- 248.06250 157.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.