CID 3075502

1h-pyrido(3,4-b)indole-1,3(2h)-dione, 4,9-dihydro-2-(2-(4-phenyl-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C23H24N4O2
SMILES
C1CN(CCN1CCN2C(=O)CC3=C(C2=O)NC4=CC=CC=C34)C5=CC=CC=C5
InChI
InChI=1S/C23H24N4O2/c28-21-16-19-18-8-4-5-9-20(18)24-22(19)23(29)27(21)15-12-25-10-13-26(14-11-25)17-6-2-1-3-7-17/h1-9,24H,10-16H2
InChIKey
QKSARPLRCOBWLU-UHFFFAOYSA-N
Compound name
2-[2-(4-phenylpiperazin-1-yl)ethyl]-4,9-dihydropyrido[3,4-b]indole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1899 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 196.5
[M+Na]+ 411.17912 203.0
[M-H]- 387.18262 200.5
[M+NH4]+ 406.22372 204.6
[M+K]+ 427.15306 194.2
[M+H-H2O]+ 371.18716 183.8
[M+HCOO]- 433.18810 206.9
[M+CH3COO]- 447.20375 203.2
[M+Na-2H]- 409.16457 196.2
[M]+ 388.18935 191.7
[M]- 388.19045 191.7
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.