CID 3044977

Quinoline, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-

Structural Information

Molecular Formula
C21H22ClN3
SMILES
C1CN(CCN1CCC2=NC3=CC=CC=C3C=C2)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H22ClN3/c22-18-5-3-6-20(16-18)25-14-12-24(13-15-25)11-10-19-9-8-17-4-1-2-7-21(17)23-19/h1-9,16H,10-15H2
InChIKey
FMSNFURHQZFJRO-UHFFFAOYSA-N
Compound name
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.15024 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.157516 185.9
[M+Na]+ 374.139458 192.4
[M-H]- 350.142964 190.4
[M+NH4]+ 369.184063 195.7
[M+K]+ 390.113398 183.7
[M+H-H2O]+ 334.147500 173.2
[M+HCOO]- 396.148441 195.4
[M+CH3COO]- 410.164091 193.8
[M+Na-2H]- 372.124906 189.5
[M]+ 351.14969142 183.5
[M]- 351.15078858 183.5
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

patents stripe