CID 474867

Diethyl[4-(4-isoquinolylamino)pentyl]amine

Structural Information

Molecular Formula
C18H27N3
SMILES
CCN(CC)CCCC(C)NC1=CN=CC2=CC=CC=C21
InChI
InChI=1S/C18H27N3/c1-4-21(5-2)12-8-9-15(3)20-18-14-19-13-16-10-6-7-11-17(16)18/h6-7,10-11,13-15,20H,4-5,8-9,12H2,1-3H3
InChIKey
QUFRSWHTCOSFMW-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-isoquinolin-4-ylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.2205 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.22778 171.9
[M+Na]+ 308.20972 175.8
[M-H]- 284.21322 175.2
[M+NH4]+ 303.25432 187.3
[M+K]+ 324.18366 172.5
[M+H-H2O]+ 268.21776 162.8
[M+HCOO]- 330.21870 193.5
[M+CH3COO]- 344.23435 213.6
[M+Na-2H]- 306.19517 176.7
[M]+ 285.21995 173.8
[M]- 285.22105 173.8
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.