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]+ 352.201946 184.5
[M+Na]+ 374.183888 190.1
[M-H]- 350.187394 189.5
[M+NH4]+ 369.228493 196.1
[M+K]+ 390.157828 184.6
[M+H-H2O]+ 334.191930 174.0
[M+HCOO]- 396.192871 206.6
[M+CH3COO]- 410.208521 220.2
[M+Na-2H]- 372.169336 190.0
[M]+ 351.19412142 186.7
[M]- 351.19521858 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.