CID 432305

8eu5zhf20i

Structural Information

Molecular Formula

C₂₂H₃₅N₃O

SMILES

CCN(CC)CCCCCCCNC1=CC(=CC2=C(C=CN=C12)C)OC

InChI

InChI=1S/C22H35N3O/c1-5-25(6-2)15-11-9-7-8-10-13-23-21-17-19(26-4)16-20-18(3)12-14-24-22(20)21/h12,14,16-17,23H,5-11,13,15H2,1-4H3

InChIKey

ZFEGQNGGNPZFFS-UHFFFAOYSA-N

Compound name

N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)heptane-1,7-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 357.278 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	358.28528	193.4
[M+Na]+	380.26722	197.5
[M-H]-	356.27072	196.5
[M+NH4]+	375.31182	206.4
[M+K]+	396.24116	193.5
[M+H-H2O]+	340.27526	183.5
[M+HCOO]-	402.27620	214.7
[M+CH3COO]-	416.29185	229.0
[M+Na-2H]-	378.25267	195.7
[M]+	357.27745	199.4
[M]-	357.27855	199.4

Literature stripe

literature stripe

Patent stripe

patents stripe