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 158.4
[M+Na]+ 265.14237 165.4
[M-H]- 241.14587 160.8
[M+NH4]+ 260.18697 172.2
[M+K]+ 281.11631 160.1
[M+H-H2O]+ 225.15041 148.2
[M+HCOO]- 287.15135 174.5
[M+CH3COO]- 301.16700 168.5
[M+Na-2H]- 263.12782 163.8
[M]+ 242.15260 152.9
[M]- 242.15370 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.