CID 99151

35976-65-9

Structural Information

Molecular Formula

C₂₀H₂₉N₃O₂

SMILES

CCCCN(CCCC)CCCNC1=CC(=O)C2=C(C1=O)C=CC=N2

InChI

InChI=1S/C20H29N3O2/c1-3-5-12-23(13-6-4-2)14-8-11-21-17-15-18(24)19-16(20(17)25)9-7-10-22-19/h7,9-10,15,21H,3-6,8,11-14H2,1-2H3

InChIKey

DYIMWUCLECRKCE-UHFFFAOYSA-N

Compound name

6-[3-(dibutylamino)propylamino]quinoline-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 343.22598 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	344.233256	185.4
[M+Na]+	366.215198	189.9
[M-H]-	342.218704	188.6
[M+NH4]+	361.259803	198.7
[M+K]+	382.189138	185.9
[M+H-H2O]+	326.223240	176.0
[M+HCOO]-	388.224181	206.6
[M+CH3COO]-	402.239831	224.0
[M+Na-2H]-	364.200646	188.0
[M]+	343.22543142	189.4
[M]-	343.22652858	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe