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]+ 390.253976 200.2
[M+Na]+ 412.235918 203.9
[M-H]- 388.239424 207.0
[M+NH4]+ 407.280523 207.5
[M+K]+ 428.209858 198.4
[M+H-H2O]+ 372.243960 188.0
[M+HCOO]- 434.244901 213.2
[M+CH3COO]- 448.260551 207.3
[M+Na-2H]- 410.221366 204.4
[M]+ 389.24615142 197.4
[M]- 389.24724858 197.4
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.