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]+ 318.217606 178.6
[M+Na]+ 340.199548 184.1
[M-H]- 316.203054 182.6
[M+NH4]+ 335.244153 193.1
[M+K]+ 356.173488 182.2
[M+H-H2O]+ 300.207590 169.6
[M+HCOO]- 362.208531 200.5
[M+CH3COO]- 376.224181 220.1
[M+Na-2H]- 338.184996 182.0
[M]+ 317.20978142 184.1
[M]- 317.21087858 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.