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 159.0
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.