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]+ 320.212106 178.4
[M+Na]+ 342.194048 183.5
[M-H]- 318.197554 185.0
[M+NH4]+ 337.238653 192.1
[M+K]+ 358.167988 178.3
[M+H-H2O]+ 302.202090 168.0
[M+HCOO]- 364.203031 201.3
[M+CH3COO]- 378.218681 218.6
[M+Na-2H]- 340.179496 184.7
[M]+ 319.20428142 179.6
[M]- 319.20537858 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.