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

1
Patents

379.22598 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 197.2
[M+Na]+ 402.21520 202.9
[M-H]- 378.21870 201.1
[M+NH4]+ 397.25980 206.6
[M+K]+ 418.18914 195.4
[M+H-H2O]+ 362.22324 184.8
[M+HCOO]- 424.22418 207.2
[M+CH3COO]- 438.23983 203.9
[M+Na-2H]- 400.20065 197.5
[M]+ 379.22543 191.4
[M]- 379.22653 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.