CID 3659700

853344-12-4

Structural Information

Molecular Formula
C21H25N3
SMILES
CCN(CC)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3/c1-3-24(4-2)15-14-22-21-16-20(17-10-6-5-7-11-17)23-19-13-9-8-12-18(19)21/h5-13,16H,3-4,14-15H2,1-2H3,(H,22,23)
InChIKey
DNEATVAXIAIYIU-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(2-phenylquinolin-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.20483 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 178.4
[M+Na]+ 342.19405 183.5
[M-H]- 318.19755 185.0
[M+NH4]+ 337.23865 192.1
[M+K]+ 358.16799 178.3
[M+H-H2O]+ 302.20209 168.0
[M+HCOO]- 364.20303 201.3
[M+CH3COO]- 378.21868 218.6
[M+Na-2H]- 340.17950 184.7
[M]+ 319.20428 179.6
[M]- 319.20538 179.6
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.