CID 3012962

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

Structural Information

Molecular Formula
C17H11ClN4OSe
SMILES
C1=CC=C(C=C1)N(C2=NC=CC(=C2)Cl)N3C(=O)C4=C([Se]3)N=CC=C4
InChI
InChI=1S/C17H11ClN4OSe/c18-12-8-10-19-15(11-12)21(13-5-2-1-3-6-13)22-17(23)14-7-4-9-20-16(14)24-22/h1-11H
InChIKey
QNWNTEYAYSWKAQ-UHFFFAOYSA-N
Compound name
2-(N-(4-chloropyridin-2-yl)anilino)-[1,2]selenazolo[5,4-b]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.97867 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.98595 187.0
[M+Na]+ 424.96789 197.6
[M-H]- 400.97139 195.1
[M+NH4]+ 420.01249 199.3
[M+K]+ 440.94183 190.2
[M+H-H2O]+ 384.97593 174.9
[M+HCOO]- 446.97687 205.3
[M+CH3COO]- 460.99252 197.7
[M+Na-2H]- 422.95334 192.1
[M]+ 401.97812 191.6
[M]- 401.97922 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.