CID 363463

Nsc628374

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CC1=C2C(=NC=C1)C(=CC(=O)C2=O)N3CCOCC3
InChI
InChI=1S/C14H14N2O3/c1-9-2-3-15-13-10(16-4-6-19-7-5-16)8-11(17)14(18)12(9)13/h2-3,8H,4-7H2,1H3
InChIKey
KVBRFQKZSCKWLG-UHFFFAOYSA-N
Compound name
4-methyl-8-morpholin-4-ylquinoline-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 157.9
[M+Na]+ 281.08965 166.1
[M-H]- 257.09315 163.2
[M+NH4]+ 276.13425 171.6
[M+K]+ 297.06359 163.3
[M+H-H2O]+ 241.09769 148.7
[M+HCOO]- 303.09863 173.6
[M+CH3COO]- 317.11428 169.2
[M+Na-2H]- 279.07510 162.8
[M]+ 258.09988 156.0
[M]- 258.10098 156.0
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.