CID 456587

4-n-(5,6-dimethoxyquinolin-8-yl)pentane-1,4-diamine

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)OC)OC
InChI
InChI=1S/C16H23N3O2/c1-11(6-4-8-17)19-13-10-14(20-2)16(21-3)12-7-5-9-18-15(12)13/h5,7,9-11,19H,4,6,8,17H2,1-3H3
InChIKey
BKJXJTYXBUSXTA-UHFFFAOYSA-N
Compound name
4-N-(5,6-dimethoxyquinolin-8-yl)pentane-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

289.17902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 169.3
[M+Na]+ 312.16824 175.7
[M-H]- 288.17174 171.8
[M+NH4]+ 307.21284 184.2
[M+K]+ 328.14218 172.5
[M+H-H2O]+ 272.17628 161.0
[M+HCOO]- 334.17722 190.9
[M+CH3COO]- 348.19287 210.3
[M+Na-2H]- 310.15369 173.6
[M]+ 289.17847 172.0
[M]- 289.17957 172.0
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.