CID 227812

Nsc19895

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC(CCCN(C)C)NC1=CC(=C(C2=C1N=CC=C2)OC)OC
InChI
InChI=1S/C18H27N3O2/c1-13(8-7-11-21(2)3)20-15-12-16(22-4)18(23-5)14-9-6-10-19-17(14)15/h6,9-10,12-13,20H,7-8,11H2,1-5H3
InChIKey
GZBXZZJSARMYPE-UHFFFAOYSA-N
Compound name
4-N-(5,6-dimethoxyquinolin-8-yl)-1-N,1-N-dimethylpentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.21033 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.21761 178.6
[M+Na]+ 340.19955 184.1
[M-H]- 316.20305 182.6
[M+NH4]+ 335.24415 193.1
[M+K]+ 356.17349 182.2
[M+H-H2O]+ 300.20759 169.6
[M+HCOO]- 362.20853 200.5
[M+CH3COO]- 376.22418 220.1
[M+Na-2H]- 338.18500 182.0
[M]+ 317.20978 184.1
[M]- 317.21088 184.1
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.