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 200.2
[M+Na]+ 412.23592 203.9
[M-H]- 388.23942 207.0
[M+NH4]+ 407.28052 207.5
[M+K]+ 428.20986 198.4
[M+H-H2O]+ 372.24396 188.0
[M+HCOO]- 434.24490 213.2
[M+CH3COO]- 448.26055 207.3
[M+Na-2H]- 410.22137 204.4
[M]+ 389.24615 197.4
[M]- 389.24725 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.