CID 99149

5,8-quinolinedione, 6-(2-morpholinoethyl)amino-

Structural Information

Molecular Formula
C15H17N3O3
SMILES
C1COCCN1CCNC2=CC(=O)C3=C(C2=O)C=CC=N3
InChI
InChI=1S/C15H17N3O3/c19-13-10-12(15(20)11-2-1-3-17-14(11)13)16-4-5-18-6-8-21-9-7-18/h1-3,10,16H,4-9H2
InChIKey
VSYMNYNQYZDAPD-UHFFFAOYSA-N
Compound name
6-(2-morpholin-4-ylethylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.12698 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.134256 165.6
[M+Na]+ 310.116198 171.4
[M-H]- 286.119704 170.1
[M+NH4]+ 305.160803 177.4
[M+K]+ 326.090138 168.3
[M+H-H2O]+ 270.124240 155.6
[M+HCOO]- 332.125181 182.0
[M+CH3COO]- 346.140831 202.8
[M+Na-2H]- 308.101646 171.3
[M]+ 287.12643142 163.0
[M]- 287.12752858 163.0
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.