CID 154577494

4-(pyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1C(=O)NC2=CC=CC=C2N1C3=CC=CC=N3
InChI
InChI=1S/C13H11N3O/c17-13-9-16(12-7-3-4-8-14-12)11-6-2-1-5-10(11)15-13/h1-8H,9H2,(H,15,17)
InChIKey
PEWBKYMGZIYZQZ-UHFFFAOYSA-N
Compound name
4-pyridin-2-yl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 150.4
[M+Na]+ 248.07943 158.6
[M-H]- 224.08293 152.3
[M+NH4]+ 243.12403 164.4
[M+K]+ 264.05337 152.8
[M+H-H2O]+ 208.08747 140.7
[M+HCOO]- 270.08841 166.8
[M+CH3COO]- 284.10406 161.2
[M+Na-2H]- 246.06488 158.3
[M]+ 225.08966 146.1
[M]- 225.09076 146.1
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.