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]+ 309.134596 169.9
[M+Na]+ 331.116538 176.9
[M-H]- 307.120044 174.5
[M+NH4]+ 326.161143 182.0
[M+K]+ 347.090478 171.2
[M+H-H2O]+ 291.124580 159.5
[M+HCOO]- 353.125521 191.7
[M+CH3COO]- 367.141171 210.5
[M+Na-2H]- 329.101986 177.7
[M]+ 308.12677142 169.5
[M]- 308.12786858 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.