CID 3044979

57962-01-3

Structural Information

Molecular Formula
C21H21Cl2N3
SMILES
C1CN(CCN1CCC2=NC3=CC=CC=C3C=C2)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H21Cl2N3/c22-19-8-7-18(15-20(19)23)26-13-11-25(12-14-26)10-9-17-6-5-16-3-1-2-4-21(16)24-17/h1-8,15H,9-14H2
InChIKey
QOYBTRHXVPNZTM-UHFFFAOYSA-N
Compound name
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

385.11127 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11855 191.5
[M+Na]+ 408.10049 199.1
[M-H]- 384.10399 195.4
[M+NH4]+ 403.14509 200.7
[M+K]+ 424.07443 189.8
[M+H-H2O]+ 368.10853 179.1
[M+HCOO]- 430.10947 195.9
[M+CH3COO]- 444.12512 199.0
[M+Na-2H]- 406.08594 193.5
[M]+ 385.11072 190.9
[M]- 385.11182 190.9
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