CID 45050898

2-(4-tert-butylphenyl)-n-(2-(4-morpholinyl)ethyl)-4-quinolinamine

Structural Information

Molecular Formula
C25H31N3O
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)NCCN4CCOCC4
InChI
InChI=1S/C25H31N3O/c1-25(2,3)20-10-8-19(9-11-20)23-18-24(21-6-4-5-7-22(21)27-23)26-12-13-28-14-16-29-17-15-28/h4-11,18H,12-17H2,1-3H3,(H,26,27)
InChIKey
JPONSZRXZCBDLB-UHFFFAOYSA-N
Compound name
2-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.2467 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.25398 200.6
[M+Na]+ 412.23592 215.4
[M+NH4]+ 407.28052 208.6
[M+K]+ 428.20986 206.1
[M-H]- 388.23942 208.7
[M+Na-2H]- 410.22137 209.2
[M]+ 389.24615 205.3
[M]- 389.24725 205.3
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.