CID 16072502

7-chloro-2-methyl-9-phenyl-oxazolo[5,4-b]quinoline

Structural Information

Molecular Formula
C17H11ClN2O
SMILES
CC1=NC2=C(C3=C(C=CC(=C3)Cl)N=C2O1)C4=CC=CC=C4
InChI
InChI=1S/C17H11ClN2O/c1-10-19-16-15(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)20-17(16)21-10/h2-9H,1H3
InChIKey
VFGFRIXEYCNWKD-UHFFFAOYSA-N
Compound name
7-chloro-2-methyl-9-phenyl-[1,3]oxazolo[5,4-b]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.056 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06328 166.1
[M+Na]+ 317.04522 179.8
[M-H]- 293.04872 173.6
[M+NH4]+ 312.08982 182.6
[M+K]+ 333.01916 173.4
[M+H-H2O]+ 277.05326 157.5
[M+HCOO]- 339.05420 182.9
[M+CH3COO]- 353.06985 179.3
[M+Na-2H]- 315.03067 173.2
[M]+ 294.05545 172.6
[M]- 294.05655 172.6
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.