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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.23326 185.4
[M+Na]+ 366.21520 189.9
[M-H]- 342.21870 188.6
[M+NH4]+ 361.25980 198.7
[M+K]+ 382.18914 185.9
[M+H-H2O]+ 326.22324 176.0
[M+HCOO]- 388.22418 206.6
[M+CH3COO]- 402.23983 224.0
[M+Na-2H]- 364.20065 188.0
[M]+ 343.22543 189.4
[M]- 343.22653 189.4
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

patents stripe