CID 379077

383907-43-5

Structural Information

Molecular Formula
C15H16ClN3O3
SMILES
C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl
InChI
InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
InChIKey
BMKPVDQDJQWBPD-UHFFFAOYSA-N
Compound name
6-chloro-7-(2-morpholin-4-ylethylamino)quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

35
References

78
Patents

321.088 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.095276 173.1
[M+Na]+ 344.077218 180.4
[M-H]- 320.080724 177.7
[M+NH4]+ 339.121823 184.6
[M+K]+ 360.051158 176.0
[M+H-H2O]+ 304.085260 163.7
[M+HCOO]- 366.086201 184.7
[M+CH3COO]- 380.101851 207.7
[M+Na-2H]- 342.062666 177.3
[M]+ 321.08745142 173.0
[M]- 321.08854858 173.0
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

patents stripe