CID 3080022

126921-46-8

Structural Information

Molecular Formula
C21H23N3
SMILES
C1CN(CCN1CCC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3/c1-2-7-19(8-3-1)24-16-14-23(15-17-24)13-11-21-20-9-5-4-6-18(20)10-12-22-21/h1-10,12H,11,13-17H2
InChIKey
AJAAZIPDXVNTLB-UHFFFAOYSA-N
Compound name
1-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1892 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 179.0
[M+Na]+ 340.17842 183.8
[M-H]- 316.18192 183.5
[M+NH4]+ 335.22302 188.9
[M+K]+ 356.15236 176.3
[M+H-H2O]+ 300.18646 166.1
[M+HCOO]- 362.18740 193.2
[M+CH3COO]- 376.20305 187.0
[M+Na-2H]- 338.16387 184.0
[M]+ 317.18865 173.9
[M]- 317.18975 173.9
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.