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-methoxy-3-pyridinyl)-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]+ 256.108046 158.6
[M+Na]+ 278.089988 167.0
[M-H]- 254.093494 160.6
[M+NH4]+ 273.134593 171.5
[M+K]+ 294.063928 161.6
[M+H-H2O]+ 238.098030 148.7
[M+HCOO]- 300.098971 174.7
[M+CH3COO]- 314.114621 169.0
[M+Na-2H]- 276.075436 165.1
[M]+ 255.10022142 156.4
[M]- 255.10131858 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.