CID 490491

N-[(3,4-dichlorophenyl)methyl]-1-morpholino-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide

Structural Information

Molecular Formula
C26H28Cl2N4O4
SMILES
C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC(=C(C=C4)Cl)Cl)N5CCOCC5
InChI
InChI=1S/C26H28Cl2N4O4/c27-22-3-1-18(14-23(22)28)15-29-26(34)21-17-32(31-7-11-36-12-8-31)24-4-2-19(13-20(24)25(21)33)16-30-5-9-35-10-6-30/h1-4,13-14,17H,5-12,15-16H2,(H,29,34)
InChIKey
ZIQQSRQWTDAONY-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-1-morpholin-4-yl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.14874 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.15602 227.3
[M+Na]+ 553.13796 231.6
[M-H]- 529.14146 235.0
[M+NH4]+ 548.18256 226.9
[M+K]+ 569.11190 226.5
[M+H-H2O]+ 513.14600 213.0
[M+HCOO]- 575.14694 226.2
[M+CH3COO]- 589.16259 231.4
[M+Na-2H]- 551.12341 225.1
[M]+ 530.14819 226.9
[M]- 530.14929 226.9
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.