CID 95732358

5-bromo-1-(piperazin-1-yl)isoquinoline dihydrochloride

Structural Information

Molecular Formula
C13H14BrN3
SMILES
C1CN(CCN1)C2=NC=CC3=C2C=CC=C3Br
InChI
InChI=1S/C13H14BrN3/c14-12-3-1-2-11-10(12)4-5-16-13(11)17-8-6-15-7-9-17/h1-5,15H,6-9H2
InChIKey
WIXAPHCCZLLAQL-UHFFFAOYSA-N
Compound name
5-bromo-1-piperazin-1-ylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.0371 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04438 159.5
[M+Na]+ 314.02632 164.4
[M+NH4]+ 309.07092 164.6
[M+K]+ 330.00026 162.6
[M-H]- 290.02982 161.4
[M+Na-2H]- 312.01177 163.9
[M]+ 291.03655 159.6
[M]- 291.03765 159.6
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

No patent data available for this compound.