CID 3246729

Xk-469 free acid, (r)-

Structural Information

Molecular Formula
C17H13ClN2O4
SMILES
C[C@H](C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl
InChI
InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16/h2-10H,1H3,(H,21,22)/t10-/m1/s1
InChIKey
NUQZXROIVGBRGR-SNVBAGLBSA-N
Compound name
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

73
Patents

344.0564 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.06368 175.3
[M+Na]+ 367.04562 191.0
[M+NH4]+ 362.09022 182.2
[M+K]+ 383.01956 184.2
[M-H]- 343.04912 178.0
[M+Na-2H]- 365.03107 183.1
[M]+ 344.05585 178.6
[M]- 344.05695 178.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe