CID 3000482

(3s)-4-benzyl-6-chloro-3-methyl-1,3-dihydroquinoxalin-2-one

Structural Information

Molecular Formula
C16H15ClN2O
SMILES
C[C@H]1C(=O)NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)Cl
InChI
InChI=1S/C16H15ClN2O/c1-11-16(20)18-14-8-7-13(17)9-15(14)19(11)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKey
OXGVIBQTYFPKQE-NSHDSACASA-N
Compound name
(3S)-4-benzyl-6-chloro-3-methyl-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08728 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09456 165.4
[M+Na]+ 309.07650 174.8
[M-H]- 285.08000 168.6
[M+NH4]+ 304.12110 179.8
[M+K]+ 325.05044 167.2
[M+H-H2O]+ 269.08454 156.9
[M+HCOO]- 331.08548 177.5
[M+CH3COO]- 345.10113 176.0
[M+Na-2H]- 307.06195 169.6
[M]+ 286.08673 164.6
[M]- 286.08783 164.6
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.