CID 474870

Diethyl{4-[(7-methoxy(4-isoquinolyl))amino]pentyl}amine

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=CN=C1)OC
InChI
InChI=1S/C19H29N3O/c1-5-22(6-2)11-7-8-15(3)21-19-14-20-13-16-12-17(23-4)9-10-18(16)19/h9-10,12-15,21H,5-8,11H2,1-4H3
InChIKey
IHNICFDMGNKADP-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-(7-methoxyisoquinolin-4-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.23105 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.23833 180.0
[M+Na]+ 338.22027 184.3
[M-H]- 314.22377 183.4
[M+NH4]+ 333.26487 194.4
[M+K]+ 354.19421 181.4
[M+H-H2O]+ 298.22831 170.7
[M+HCOO]- 360.22925 201.4
[M+CH3COO]- 374.24490 219.8
[M+Na-2H]- 336.20572 183.5
[M]+ 315.23050 184.0
[M]- 315.23160 184.0
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.