CID 3075503

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

Structural Information

Molecular Formula
C23H23ClN4O2
SMILES
C1CN(CCN1CCN2C(=O)CC3=C(C2=O)NC4=CC=CC=C34)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C23H23ClN4O2/c24-16-4-3-5-17(14-16)27-11-8-26(9-12-27)10-13-28-21(29)15-19-18-6-1-2-7-20(18)25-22(19)23(28)30/h1-7,14,25H,8-13,15H2
InChIKey
SQCCPNHBIYQSLU-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-chlorophenyl)piperazin-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

422.15094 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.15822 204.0
[M+Na]+ 445.14016 212.0
[M-H]- 421.14366 207.9
[M+NH4]+ 440.18476 211.9
[M+K]+ 461.11410 202.3
[M+H-H2O]+ 405.14820 191.5
[M+HCOO]- 467.14914 209.6
[M+CH3COO]- 481.16479 210.5
[M+Na-2H]- 443.12561 202.4
[M]+ 422.15039 201.8
[M]- 422.15149 201.8
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.