CID 516024

5-propyl-7-(4-pyridyl)isoxazolo[4,3-c]quinolin-3-one

Structural Information

Molecular Formula
C18H15N3O2
SMILES
CCCN1C=C2C(=NOC2=O)C3=C1C=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C18H15N3O2/c1-2-9-21-11-15-17(20-23-18(15)22)14-4-3-13(10-16(14)21)12-5-7-19-8-6-12/h3-8,10-11H,2,9H2,1H3
InChIKey
SWRUQGMNGYKLRE-UHFFFAOYSA-N
Compound name
5-propyl-7-pyridin-4-yl-[1,2]oxazolo[4,3-c]quinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.11642 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12370 171.2
[M+Na]+ 328.10564 183.7
[M-H]- 304.10914 177.6
[M+NH4]+ 323.15024 184.8
[M+K]+ 344.07958 178.2
[M+H-H2O]+ 288.11368 161.2
[M+HCOO]- 350.11462 191.3
[M+CH3COO]- 364.13027 183.4
[M+Na-2H]- 326.09109 178.1
[M]+ 305.11587 176.9
[M]- 305.11697 176.9
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

No patent data available for this compound.