CID 17040080

6-bromo-4-(piperazin-1-yl)quinoline

Structural Information

Molecular Formula
C13H14BrN3
SMILES
C1CN(CCN1)C2=C3C=C(C=CC3=NC=C2)Br
InChI
InChI=1S/C13H14BrN3/c14-10-1-2-12-11(9-10)13(3-4-16-12)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey
BBICIXDOMKPLKH-UHFFFAOYSA-N
Compound name
6-bromo-4-piperazin-1-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

291.0371 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04438 159.0
[M+Na]+ 314.02632 168.5
[M-H]- 290.02982 163.0
[M+NH4]+ 309.07092 174.3
[M+K]+ 330.00026 155.6
[M+H-H2O]+ 274.03436 156.7
[M+HCOO]- 336.03530 171.7
[M+CH3COO]- 350.05095 170.6
[M+Na-2H]- 312.01177 166.6
[M]+ 291.03655 171.7
[M]- 291.03765 171.7
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