CID 155819734

4-(6-methylpyridin-3-yl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC1=NC=C(C=C1)N2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C14H13N3O/c1-10-6-7-11(8-15-10)17-9-14(18)16-12-4-2-3-5-13(12)17/h2-8H,9H2,1H3,(H,16,18)
InChIKey
BKKNPSKBXVCZDL-UHFFFAOYSA-N
Compound name
4-(6-methyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.10587 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 155.6
[M+Na]+ 262.095088 164.3
[M-H]- 238.098594 157.7
[M+NH4]+ 257.139693 169.3
[M+K]+ 278.069028 158.2
[M+H-H2O]+ 222.103130 145.9
[M+HCOO]- 284.104071 171.6
[M+CH3COO]- 298.119721 166.3
[M+Na-2H]- 260.080536 162.1
[M]+ 239.10532142 152.0
[M]- 239.10641858 152.0
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.