CID 459710

4-[(6-methoxy-8-quinolyl)amino]-3-morpholino-4-phenyl-butan-2-one

Structural Information

Molecular Formula
C24H27N3O3
SMILES
CC(=O)C(C(C1=CC=CC=C1)NC2=C3C(=CC(=C2)OC)C=CC=N3)N4CCOCC4
InChI
InChI=1S/C24H27N3O3/c1-17(28)24(27-11-13-30-14-12-27)23(18-7-4-3-5-8-18)26-21-16-20(29-2)15-19-9-6-10-25-22(19)21/h3-10,15-16,23-24,26H,11-14H2,1-2H3
InChIKey
KJFZPNNAYWFILW-UHFFFAOYSA-N
Compound name
4-[(6-methoxyquinolin-8-yl)amino]-3-morpholin-4-yl-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.20523 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 198.2
[M+Na]+ 428.19445 199.7
[M-H]- 404.19795 204.6
[M+NH4]+ 423.23905 203.7
[M+K]+ 444.16839 196.4
[M+H-H2O]+ 388.20249 185.7
[M+HCOO]- 450.20343 210.7
[M+CH3COO]- 464.21908 204.6
[M+Na-2H]- 426.17990 199.9
[M]+ 405.20468 195.5
[M]- 405.20578 195.5
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.