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

5
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 155.3
[M+Na]+ 254.126378 159.9
[M-H]- 230.129884 154.6
[M+NH4]+ 249.170983 168.0
[M+K]+ 270.100318 154.0
[M+H-H2O]+ 214.134420 145.8
[M+HCOO]- 276.135361 165.8
[M+CH3COO]- 290.151011 163.7
[M+Na-2H]- 252.111826 159.5
[M]+ 231.13661142 144.9
[M]- 231.13770858 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