CID 3012957

2-cyclohexyl-[1,2]selenazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C12H14N2OSe
SMILES
C1CCC(CC1)N2C(=O)C3=C([Se]2)N=CC=C3
InChI
InChI=1S/C12H14N2OSe/c15-12-10-7-4-8-13-11(10)16-14(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKey
VOZORLXBUYZHGI-UHFFFAOYSA-N
Compound name
2-cyclohexyl-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.02713 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03441 158.6
[M+Na]+ 305.01635 166.5
[M-H]- 281.01985 162.8
[M+NH4]+ 300.06095 176.4
[M+K]+ 320.99029 161.9
[M+H-H2O]+ 265.02439 149.4
[M+HCOO]- 327.02533 178.0
[M+CH3COO]- 341.04098 170.2
[M+Na-2H]- 303.00180 162.5
[M]+ 282.02658 156.4
[M]- 282.02768 156.4
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.