CID 3058757

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

Structural Information

Molecular Formula
C24H31N3O2
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=CC4=C(CC(CC4=O)(C)C)NC3=O
InChI
InChI=1S/C24H31N3O2/c1-17-6-4-5-7-21(17)27-12-10-26(11-13-27)9-8-18-14-19-20(25-23(18)29)15-24(2,3)16-22(19)28/h4-7,14H,8-13,15-16H2,1-3H3,(H,25,29)
InChIKey
BHJIOHSORBOJMS-UHFFFAOYSA-N
Compound name
7,7-dimethyl-3-[2-[4-(2-methylphenyl)piperazin-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

393.24164 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.248916 201.8
[M+Na]+ 416.230858 207.9
[M-H]- 392.234364 205.8
[M+NH4]+ 411.275463 210.9
[M+K]+ 432.204798 200.3
[M+H-H2O]+ 376.238900 189.5
[M+HCOO]- 438.239841 211.4
[M+CH3COO]- 452.255491 208.4
[M+Na-2H]- 414.216306 200.9
[M]+ 393.24109142 196.7
[M]- 393.24218858 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

patents stripe