CID 45051269

853330-96-8

Structural Information

Molecular Formula
C21H25N3
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN(C)C
InChI
InChI=1S/C21H25N3/c1-4-16-9-11-17(12-10-16)20-15-21(22-13-14-24(2)3)18-7-5-6-8-19(18)23-20/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)
InChIKey
KVRWUEUGOHWJDK-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylphenyl)quinolin-4-yl]-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.20483 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.21211 180.1
[M+Na]+ 342.19405 195.2
[M+NH4]+ 337.23865 189.2
[M+K]+ 358.16799 185.2
[M-H]- 318.19755 187.3
[M+Na-2H]- 340.17950 189.8
[M]+ 319.20428 184.5
[M]- 319.20538 184.5
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

patents stripe