CID 3012953

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

Structural Information

Molecular Formula
C6H4N2OSe
SMILES
C1=CC2=C(N=C1)[Se]NC2=O
InChI
InChI=1S/C6H4N2OSe/c9-5-4-2-1-3-7-6(4)10-8-5/h1-3H,(H,8,9)
InChIKey
XNNFKMQVLWINJZ-UHFFFAOYSA-N
Compound name
[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

199.94888 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.95616 133.4
[M+Na]+ 222.93810 144.5
[M-H]- 198.94160 134.4
[M+NH4]+ 217.98270 154.5
[M+K]+ 238.91204 140.7
[M+H-H2O]+ 182.94614 126.5
[M+HCOO]- 244.94708 156.4
[M+CH3COO]- 258.96273 147.4
[M+Na-2H]- 220.92355 141.8
[M]+ 199.94833 133.9
[M]- 199.94943 133.9
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

patents stripe