CID 43382735

5-(4-methylpiperazin-1-yl)isoquinolin-8-amine

Structural Information

Molecular Formula
C14H18N4
SMILES
CN1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)N
InChI
InChI=1S/C14H18N4/c1-17-6-8-18(9-7-17)14-3-2-13(15)12-10-16-5-4-11(12)14/h2-5,10H,6-9,15H2,1H3
InChIKey
JSBMCQFQUJNWLL-UHFFFAOYSA-N
Compound name
5-(4-methylpiperazin-1-yl)isoquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.15315 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.16043 157.4
[M+Na]+ 265.14237 171.5
[M+NH4]+ 260.18697 166.0
[M+K]+ 281.11631 163.7
[M-H]- 241.14587 161.8
[M+Na-2H]- 263.12782 164.9
[M]+ 242.15260 160.6
[M]- 242.15370 160.6
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.