CID 45051296

853328-34-4

Structural Information

Molecular Formula
C20H22N2
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NC(C)C
InChI
InChI=1S/C20H22N2/c1-4-15-9-11-16(12-10-15)19-13-20(21-14(2)3)17-7-5-6-8-18(17)22-19/h5-14H,4H2,1-3H3,(H,21,22)
InChIKey
GDDZQLYWAFZIGT-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-N-propan-2-ylquinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.17828 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18556 171.1
[M+Na]+ 313.16750 178.1
[M-H]- 289.17100 177.1
[M+NH4]+ 308.21210 186.1
[M+K]+ 329.14144 172.2
[M+H-H2O]+ 273.17554 161.8
[M+HCOO]- 335.17648 191.8
[M+CH3COO]- 349.19213 181.9
[M+Na-2H]- 311.15295 176.2
[M]+ 290.17773 171.2
[M]- 290.17883 171.2
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.