CID 474868

{4-[(7-chloro(4-isoquinolyl))amino]pentyl}diethylamine

Structural Information

Molecular Formula
C18H26ClN3
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=CN=C1)Cl
InChI
InChI=1S/C18H26ClN3/c1-4-22(5-2)10-6-7-14(3)21-18-13-20-12-15-11-16(19)8-9-17(15)18/h8-9,11-14,21H,4-7,10H2,1-3H3
InChIKey
PKSPZCUITRXFFD-UHFFFAOYSA-N
Compound name
4-N-(7-chloroisoquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.18152 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18880 179.0
[M+Na]+ 342.17074 184.7
[M-H]- 318.17424 182.4
[M+NH4]+ 337.21534 194.2
[M+K]+ 358.14468 179.6
[M+H-H2O]+ 302.17878 170.8
[M+HCOO]- 364.17972 196.0
[M+CH3COO]- 378.19537 218.3
[M+Na-2H]- 340.15619 182.4
[M]+ 319.18097 183.5
[M]- 319.18207 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.