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 179.2
[M+Na]+ 342.19405 185.2
[M-H]- 318.19755 186.2
[M+NH4]+ 337.23865 193.3
[M+K]+ 358.16799 180.0
[M+H-H2O]+ 302.20209 168.9
[M+HCOO]- 364.20303 202.0
[M+CH3COO]- 378.21868 219.8
[M+Na-2H]- 340.17950 184.7
[M]+ 319.20428 180.8
[M]- 319.20538 180.8
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