CID 99149

35961-94-5

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]+ 288.13426 165.6
[M+Na]+ 310.11620 171.4
[M-H]- 286.11970 170.1
[M+NH4]+ 305.16080 177.4
[M+K]+ 326.09014 168.3
[M+H-H2O]+ 270.12424 155.6
[M+HCOO]- 332.12518 182.0
[M+CH3COO]- 346.14083 202.8
[M+Na-2H]- 308.10165 171.3
[M]+ 287.12643 163.0
[M]- 287.12753 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.