CID 474865

Chembl142884

Structural Information

Molecular Formula
C18H27N3
SMILES
CCN(CC)CCCC(C)NC1=CC=NC2=CC=CC=C21
InChI
InChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)20-18-12-13-19-17-11-7-6-10-16(17)18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)
InChIKey
CAUPTGHSTDHRCZ-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-N-quinolin-4-ylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

245
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

patents stripe