CID 5272994

2-propyl-4h-1,2,4-benzoselenadiazin-3-one

Structural Information

Molecular Formula
C10H12N2OSe
SMILES
CCCN1C(=O)NC2=CC=CC=C2[Se]1
InChI
InChI=1S/C10H12N2OSe/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
YCXFYVHWZSYAMW-UHFFFAOYSA-N
Compound name
2-propyl-4H-1,2,4-benzoselenadiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.01147 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.01875 154.3
[M+Na]+ 279.00069 161.5
[M-H]- 255.00419 153.8
[M+NH4]+ 274.04529 171.1
[M+K]+ 294.97463 157.0
[M+H-H2O]+ 239.00873 146.2
[M+HCOO]- 301.00967 170.7
[M+CH3COO]- 315.02532 184.0
[M+Na-2H]- 276.98614 159.5
[M]+ 256.01092 151.4
[M]- 256.01202 151.4
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.