CID 459661

Schembl17430076

Structural Information

Molecular Formula
C20H22N2
SMILES
CCN(CC)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C=C2)C
InChI
InChI=1S/C20H22N2/c1-4-22(5-2)18-12-9-16(10-13-18)19-14-11-17-8-6-7-15(3)20(17)21-19/h6-14H,4-5H2,1-3H3
InChIKey
RDEGNXRBCIZLLB-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(8-methylquinolin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.17828 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 171.1
[M+Na]+ 313.16750 178.5
[M-H]- 289.17100 178.5
[M+NH4]+ 308.21210 186.8
[M+K]+ 329.14144 173.5
[M+H-H2O]+ 273.17554 161.4
[M+HCOO]- 335.17648 193.3
[M+CH3COO]- 349.19213 182.6
[M+Na-2H]- 311.15295 176.6
[M]+ 290.17773 173.0
[M]- 290.17883 173.0
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