CID 121415134

Gsk065

Structural Information

Molecular Formula
C17H15ClN2O4
SMILES
C[C@H](C1=CC=CC=N1)OC2=C(C=C3C(=C2)ON=C3CCC(=O)O)Cl
InChI
InChI=1S/C17H15ClN2O4/c1-10(13-4-2-3-7-19-13)23-16-9-15-11(8-12(16)18)14(20-24-15)5-6-17(21)22/h2-4,7-10H,5-6H2,1H3,(H,21,22)/t10-/m1/s1
InChIKey
WPAHVUADNLXSOM-SNVBAGLBSA-N
Compound name
3-[5-chloro-6-[(1R)-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

221
Patents

346.07202 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.07930 176.6
[M+Na]+ 369.06124 191.5
[M+NH4]+ 364.10584 183.0
[M+K]+ 385.03518 187.1
[M-H]- 345.06474 179.8
[M+Na-2H]- 367.04669 182.6
[M]+ 346.07147 179.9
[M]- 346.07257 179.9
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