CID 3058763

2,5(1h,6h)-quinolinedione, 7,8-dihydro-7,7-dimethyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC1(CC2=C(C=C(C(=O)N2)CCN3CCN(CC3)C4=CC=CC=C4)C(=O)C1)C
InChI
InChI=1S/C23H29N3O2/c1-23(2)15-20-19(21(27)16-23)14-17(22(28)24-20)8-9-25-10-12-26(13-11-25)18-6-4-3-5-7-18/h3-7,14H,8-13,15-16H2,1-2H3,(H,24,28)
InChIKey
GPDPWRIKUIVLQH-UHFFFAOYSA-N
Compound name
7,7-dimethyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-6,8-dihydro-1H-quinoline-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.22598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 197.2
[M+Na]+ 402.215198 202.9
[M-H]- 378.218704 201.1
[M+NH4]+ 397.259803 206.6
[M+K]+ 418.189138 195.4
[M+H-H2O]+ 362.223240 184.8
[M+HCOO]- 424.224181 207.2
[M+CH3COO]- 438.239831 203.9
[M+Na-2H]- 400.200646 197.5
[M]+ 379.22543142 191.4
[M]- 379.22652858 191.4
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

No patent data available for this compound.