CID 15337284

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

Structural Information

Molecular Formula
C11H13ClN2O
SMILES
CC(C)C1C(=O)NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C11H13ClN2O/c1-6(2)10-11(15)14-8-4-3-7(12)5-9(8)13-10/h3-6,10,13H,1-2H3,(H,14,15)
InChIKey
YIOSQHYRDWEKAJ-UHFFFAOYSA-N
Compound name
6-chloro-3-propan-2-yl-3,4-dihydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07164 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.078916 148.3
[M+Na]+ 247.060858 156.9
[M-H]- 223.064364 147.1
[M+NH4]+ 242.105463 164.7
[M+K]+ 263.034798 150.8
[M+H-H2O]+ 207.068900 142.3
[M+HCOO]- 269.069841 158.3
[M+CH3COO]- 283.085491 185.1
[M+Na-2H]- 245.046306 151.9
[M]+ 224.07109142 145.4
[M]- 224.07218858 145.4
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.