CID 3058562

Quinoline, 2-(4-(3-indolylmethyl)-1-piperazinyl)-, dimaleate

Structural Information

Molecular Formula
C22H22N4
SMILES
C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=NC5=CC=CC=C5C=C4
InChI
InChI=1S/C22H22N4/c1-3-7-20-17(5-1)9-10-22(24-20)26-13-11-25(12-14-26)16-18-15-23-21-8-4-2-6-19(18)21/h1-10,15,23H,11-14,16H2
InChIKey
JDBVHYBVEROAAP-UHFFFAOYSA-N
Compound name
2-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.18445 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19173 183.2
[M+Na]+ 365.17367 190.4
[M-H]- 341.17717 187.3
[M+NH4]+ 360.21827 193.2
[M+K]+ 381.14761 181.1
[M+H-H2O]+ 325.18171 170.6
[M+HCOO]- 387.18265 196.3
[M+CH3COO]- 401.19830 191.2
[M+Na-2H]- 363.15912 187.0
[M]+ 342.18390 178.8
[M]- 342.18500 178.8
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.