CID 516030

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

Structural Information

Molecular Formula
C19H17N3O2
SMILES
CCCN1C(=C2C(=NOC2=O)C3=C1C=C(C=C3)C4=CC=NC=C4)C
InChI
InChI=1S/C19H17N3O2/c1-3-10-22-12(2)17-18(21-24-19(17)23)15-5-4-14(11-16(15)22)13-6-8-20-9-7-13/h4-9,11H,3,10H2,1-2H3
InChIKey
WREQZDIYFZWQNJ-UHFFFAOYSA-N
Compound name
4-methyl-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

319.13208 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 176.8
[M+Na]+ 342.12130 189.7
[M-H]- 318.12480 183.3
[M+NH4]+ 337.16590 190.1
[M+K]+ 358.09524 184.0
[M+H-H2O]+ 302.12934 166.8
[M+HCOO]- 364.13028 196.4
[M+CH3COO]- 378.14593 188.9
[M+Na-2H]- 340.10675 182.3
[M]+ 319.13153 183.2
[M]- 319.13263 183.2
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.