CID 3044974

57961-96-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.15024 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15752 185.9
[M+Na]+ 374.13946 192.4
[M-H]- 350.14296 190.4
[M+NH4]+ 369.18406 195.7
[M+K]+ 390.11340 183.7
[M+H-H2O]+ 334.14750 173.2
[M+HCOO]- 396.14844 195.4
[M+CH3COO]- 410.16409 193.8
[M+Na-2H]- 372.12491 189.5
[M]+ 351.14969 183.5
[M]- 351.15079 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