CID 5272995

2-propyl-4h-1,2,4-benzoselenadiazine-3-thione

Structural Information

Molecular Formula
C10H12N2SSe
SMILES
CCCN1C(=S)NC2=CC=CC=C2[Se]1
InChI
InChI=1S/C10H12N2SSe/c1-2-7-12-10(13)11-8-5-3-4-6-9(8)14-12/h3-6H,2,7H2,1H3,(H,11,13)
InChIKey
QDVJKYYIUYKCPX-UHFFFAOYSA-N
Compound name
2-propyl-4H-1,2,4-benzoselenadiazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.98865 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.99593 155.3
[M+Na]+ 294.97787 163.0
[M-H]- 270.98137 154.9
[M+NH4]+ 290.02247 172.3
[M+K]+ 310.95181 157.2
[M+H-H2O]+ 254.98591 148.0
[M+HCOO]- 316.98685 166.6
[M+CH3COO]- 331.00250 165.6
[M+Na-2H]- 292.96332 157.6
[M]+ 271.98810 153.4
[M]- 271.98920 153.4
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.