CID 3011114

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

Structural Information

Molecular Formula
C12H12N2O2Se
SMILES
COC1=C2CCC3=C(C2=C(C=C1)OC)N=N[Se]3
InChI
InChI=1S/C12H12N2O2Se/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
ZAMIOPPCBSGDMN-UHFFFAOYSA-N
Compound name
6,9-dimethoxy-4,5-dihydrobenzo[e][1,2,3]benzoselenadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.0064 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.01368 162.1
[M+Na]+ 318.99562 171.6
[M-H]- 294.99912 164.6
[M+NH4]+ 314.04022 181.0
[M+K]+ 334.96956 167.9
[M+H-H2O]+ 279.00366 153.7
[M+HCOO]- 341.00460 181.4
[M+CH3COO]- 355.02025 174.0
[M+Na-2H]- 316.98107 167.1
[M]+ 296.00585 165.2
[M]- 296.00695 165.2
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.