CID 3000483

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

Structural Information

Molecular Formula
C15H14ClN3O
SMILES
C[C@H]1C(=O)NC2=C(N1CC3=CC=CC=N3)C=C(C=C2)Cl
InChI
InChI=1S/C15H14ClN3O/c1-10-15(20)18-13-6-5-11(16)8-14(13)19(10)9-12-4-2-3-7-17-12/h2-8,10H,9H2,1H3,(H,18,20)/t10-/m0/s1
InChIKey
CZFXWMBLGBSDSF-JTQLQIEISA-N
Compound name
(3S)-6-chloro-3-methyl-4-(pyridin-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08255 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08983 166.0
[M+Na]+ 310.07177 175.7
[M-H]- 286.07527 167.8
[M+NH4]+ 305.11637 178.8
[M+K]+ 326.04571 168.1
[M+H-H2O]+ 270.07981 156.6
[M+HCOO]- 332.08075 176.9
[M+CH3COO]- 346.09640 176.1
[M+Na-2H]- 308.05722 170.6
[M]+ 287.08200 165.2
[M]- 287.08310 165.2
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.