CID 3080021

Brn 4526317

Structural Information

Molecular Formula
C22H25N3
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CCC3=CC=NC4=CC=CC=C34
InChI
InChI=1S/C22H25N3/c1-18-5-4-6-20(17-18)25-15-13-24(14-16-25)12-10-19-9-11-23-22-8-3-2-7-21(19)22/h2-9,11,17H,10,12-16H2,1H3
InChIKey
GQSXKWUTTMQELA-UHFFFAOYSA-N
Compound name
4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.20483 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.21211 184.6
[M+Na]+ 354.19405 201.6
[M+NH4]+ 349.23865 193.7
[M+K]+ 370.16799 190.7
[M-H]- 330.19755 191.5
[M+Na-2H]- 352.17950 194.8
[M]+ 331.20428 189.3
[M]- 331.20538 189.3
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.