CID 61684677

4-(piperidin-4-yl)-1,2,3,4-tetrahydroquinoxalin-2-one dihydrochloride

Structural Information

Molecular Formula
C13H17N3O
SMILES
C1CNCCC1N2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C13H17N3O/c17-13-9-16(10-5-7-14-8-6-10)12-4-2-1-3-11(12)15-13/h1-4,10,14H,5-9H2,(H,15,17)
InChIKey
AMNYVTQNHZUOOO-UHFFFAOYSA-N
Compound name
4-piperidin-4-yl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 155.3
[M+Na]+ 254.12638 159.9
[M-H]- 230.12988 154.6
[M+NH4]+ 249.17098 168.0
[M+K]+ 270.10032 154.0
[M+H-H2O]+ 214.13442 145.8
[M+HCOO]- 276.13536 165.8
[M+CH3COO]- 290.15101 163.7
[M+Na-2H]- 252.11183 159.5
[M]+ 231.13661 144.9
[M]- 231.13771 144.9
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

patents stripe