CID 738389

7-chloro-4-(piperazin-1-yl)quinoline

Structural Information

Molecular Formula
C13H14ClN3
SMILES
C1CN(CCN1)C2=C3C=CC(=CC3=NC=C2)Cl
InChI
InChI=1S/C13H14ClN3/c14-10-1-2-11-12(9-10)16-4-3-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey
DNXNPMDUDGUXOB-UHFFFAOYSA-N
Compound name
7-chloro-4-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

136
Patents

247.08763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.094906 155.1
[M+Na]+ 270.076848 162.7
[M-H]- 246.080354 156.0
[M+NH4]+ 265.121453 169.0
[M+K]+ 286.050788 155.7
[M+H-H2O]+ 230.084890 145.6
[M+HCOO]- 292.085831 164.9
[M+CH3COO]- 306.101481 164.9
[M+Na-2H]- 268.062296 161.3
[M]+ 247.08708142 150.6
[M]- 247.08817858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe