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]+ 243.160426 158.4
[M+Na]+ 265.142368 165.4
[M-H]- 241.145874 160.8
[M+NH4]+ 260.186973 172.2
[M+K]+ 281.116308 160.1
[M+H-H2O]+ 225.150410 148.2
[M+HCOO]- 287.151351 174.5
[M+CH3COO]- 301.167001 168.5
[M+Na-2H]- 263.127816 163.8
[M]+ 242.15260142 152.9
[M]- 242.15369858 152.9
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.