CID 420895

N1-(2-(benzyloxy)-6-ethoxy-8-quinolinyl)-1,3-propanediamine

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CCOC1=CC(=C2C(=C1)C=CC(=N2)OCC3=CC=CC=C3)NCCCN
InChI
InChI=1S/C21H25N3O2/c1-2-25-18-13-17-9-10-20(26-15-16-7-4-3-5-8-16)24-21(17)19(14-18)23-12-6-11-22/h3-5,7-10,13-14,23H,2,6,11-12,15,22H2,1H3
InChIKey
DNHXSDFGIRBMNG-UHFFFAOYSA-N
Compound name
N'-(6-ethoxy-2-phenylmethoxyquinolin-8-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 184.5
[M+Na]+ 374.18389 190.1
[M-H]- 350.18739 189.5
[M+NH4]+ 369.22849 196.1
[M+K]+ 390.15783 184.6
[M+H-H2O]+ 334.19193 174.0
[M+HCOO]- 396.19287 206.6
[M+CH3COO]- 410.20852 220.2
[M+Na-2H]- 372.16934 190.0
[M]+ 351.19412 186.7
[M]- 351.19522 186.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.