CID 490482

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

Structural Information

Molecular Formula
C24H22ClN3O4
SMILES
C1COCCN1N2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H22ClN3O4/c25-19-6-3-18(4-7-19)15-26-24(31)21-16-28(27-9-12-32-13-10-27)22-8-5-17(2-1-11-29)14-20(22)23(21)30/h3-8,14,16,29H,9-13,15H2,(H,26,31)
InChIKey
WOHCRBASZXRUDI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-morpholin-4-yl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.12988 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.13716 208.0
[M+Na]+ 474.11910 216.8
[M-H]- 450.12260 210.5
[M+NH4]+ 469.16370 211.9
[M+K]+ 490.09304 207.0
[M+H-H2O]+ 434.12714 191.0
[M+HCOO]- 496.12808 212.0
[M+CH3COO]- 510.14373 212.9
[M+Na-2H]- 472.10455 207.3
[M]+ 451.12933 202.3
[M]- 451.13043 202.3
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.