CID 3058556

2-(4-(2-(3-indolyl)ethyl)-1-piperazinyl)quinoline dimaleate

Structural Information

Molecular Formula
C23H24N4
SMILES
C1CN(CCN1CCC2=CNC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C23H24N4/c1-3-7-21-18(5-1)9-10-23(25-21)27-15-13-26(14-16-27)12-11-19-17-24-22-8-4-2-6-20(19)22/h1-10,17,24H,11-16H2
InChIKey
WWFNJAAOPCAIDY-UHFFFAOYSA-N
Compound name
2-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.2001 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20738 187.5
[M+Na]+ 379.18932 194.1
[M-H]- 355.19282 191.4
[M+NH4]+ 374.23392 196.9
[M+K]+ 395.16326 184.6
[M+H-H2O]+ 339.19736 174.6
[M+HCOO]- 401.19830 200.2
[M+CH3COO]- 415.21395 195.0
[M+Na-2H]- 377.17477 190.7
[M]+ 356.19955 183.3
[M]- 356.20065 183.3
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.