CID 24747

Quazolast

Structural Information

Molecular Formula
C12H7ClN2O3
SMILES
COC(=O)C1=NC2=CC(=C3C=CC=NC3=C2O1)Cl
InChI
InChI=1S/C12H7ClN2O3/c1-17-12(16)11-15-8-5-7(13)6-3-2-4-14-9(6)10(8)18-11/h2-5H,1H3
InChIKey
ZCRBUWNCWCWRGL-UHFFFAOYSA-N
Compound name
methyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

352
Patents

262.01453 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.021806 152.2
[M+Na]+ 285.003748 165.6
[M-H]- 261.007254 156.9
[M+NH4]+ 280.048353 170.2
[M+K]+ 300.977688 162.0
[M+H-H2O]+ 245.011790 145.5
[M+HCOO]- 307.012731 169.2
[M+CH3COO]- 321.028381 166.2
[M+Na-2H]- 282.989196 160.0
[M]+ 262.01398142 160.7
[M]- 262.01507858 160.7
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