CID 99133

35976-64-8

Structural Information

Molecular Formula
C17H16N4O2
SMILES
C1=CC2=C(C(=O)C=C(C2=O)NCCNCC3=CC=NC=C3)N=C1
InChI
InChI=1S/C17H16N4O2/c22-15-10-14(17(23)13-2-1-5-21-16(13)15)20-9-8-19-11-12-3-6-18-7-4-12/h1-7,10,19-20H,8-9,11H2
InChIKey
HXHNKQJNCXGUEB-UHFFFAOYSA-N
Compound name
6-[2-(pyridin-4-ylmethylamino)ethylamino]quinoline-5,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12732 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 169.9
[M+Na]+ 331.11654 176.9
[M-H]- 307.12004 174.5
[M+NH4]+ 326.16114 182.0
[M+K]+ 347.09048 171.2
[M+H-H2O]+ 291.12458 159.5
[M+HCOO]- 353.12552 191.7
[M+CH3COO]- 367.14117 210.5
[M+Na-2H]- 329.10199 177.7
[M]+ 308.12677 169.5
[M]- 308.12787 169.5
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.