CID 490488

N-[(4-chlorophenyl)methyl]-1-morpholino-4-oxo-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide

Structural Information

Molecular Formula
C27H30ClN3O4
SMILES
C1COCCC1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)N5CCOCC5
InChI
InChI=1S/C27H30ClN3O4/c28-22-4-1-20(2-5-22)17-29-27(33)24-18-31(30-9-13-35-14-10-30)25-6-3-21(16-23(25)26(24)32)15-19-7-11-34-12-8-19/h1-6,16,18-19H,7-15,17H2,(H,29,33)
InChIKey
GMFRXUKMLJOALF-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-1-morpholin-4-yl-6-(oxan-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.19247 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.19975 221.9
[M+Na]+ 518.18169 224.8
[M-H]- 494.18519 231.4
[M+NH4]+ 513.22629 223.4
[M+K]+ 534.15563 220.1
[M+H-H2O]+ 478.18973 208.1
[M+HCOO]- 540.19067 226.9
[M+CH3COO]- 554.20632 226.8
[M+Na-2H]- 516.16714 220.8
[M]+ 495.19192 219.4
[M]- 495.19302 219.4
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.