CID 155819693

4-(5-methoxypyridin-3-yl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C14H13N3O2
SMILES
COC1=CN=CC(=C1)N2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C14H13N3O2/c1-19-11-6-10(7-15-8-11)17-9-14(18)16-12-4-2-3-5-13(12)17/h2-8H,9H2,1H3,(H,16,18)
InChIKey
MQGJLFNXJGSMQQ-UHFFFAOYSA-N
Compound name
4-(5-methoxypyridin-3-yl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 158.6
[M+Na]+ 278.08999 167.0
[M-H]- 254.09349 160.6
[M+NH4]+ 273.13459 171.5
[M+K]+ 294.06393 161.6
[M+H-H2O]+ 238.09803 148.7
[M+HCOO]- 300.09897 174.7
[M+CH3COO]- 314.11462 169.0
[M+Na-2H]- 276.07544 165.1
[M]+ 255.10022 156.4
[M]- 255.10132 156.4
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.