CID 3058760

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

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CC1=C(C(=O)NC2=C1C(=O)CC(C2)(C)C)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C24H31N3O2/c1-17-19(23(29)25-20-15-24(2,3)16-21(28)22(17)20)9-10-26-11-13-27(14-12-26)18-7-5-4-6-8-18/h4-8H,9-16H2,1-3H3,(H,25,29)
InChIKey
KQANEOSOAVYAQU-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-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

393.24164 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 201.8
[M+Na]+ 416.23086 207.9
[M-H]- 392.23436 205.8
[M+NH4]+ 411.27546 210.9
[M+K]+ 432.20480 200.3
[M+H-H2O]+ 376.23890 189.5
[M+HCOO]- 438.23984 211.4
[M+CH3COO]- 452.25549 208.4
[M+Na-2H]- 414.21631 200.9
[M]+ 393.24109 196.7
[M]- 393.24219 196.7
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.