CID 3012961

2-[n-(2-pyridyl)anilino]-[1,2]selenazolo[5,4-b]pyridin-3-one

Structural Information

Molecular Formula
C17H12N4OSe
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=N2)N3C(=O)C4=C([Se]3)N=CC=C4
InChI
InChI=1S/C17H12N4OSe/c22-17-14-9-6-12-19-16(14)23-21(17)20(13-7-2-1-3-8-13)15-10-4-5-11-18-15/h1-12H
InChIKey
BDEUBIDZHCLYMB-UHFFFAOYSA-N
Compound name
2-(N-pyridin-2-ylanilino)-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

368.01764 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.02492 179.3
[M+Na]+ 391.00686 188.4
[M-H]- 367.01036 187.5
[M+NH4]+ 386.05146 191.8
[M+K]+ 406.98080 182.3
[M+H-H2O]+ 351.01490 167.1
[M+HCOO]- 413.01584 202.5
[M+CH3COO]- 427.03149 190.3
[M+Na-2H]- 388.99231 185.9
[M]+ 368.01709 181.3
[M]- 368.01819 181.3
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.