CID 490483

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

Structural Information

Molecular Formula
C25H24ClN3O3
SMILES
C1CCN(CC1)N2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H24ClN3O3/c26-20-9-6-19(7-10-20)16-27-25(32)22-17-29(28-12-2-1-3-13-28)23-11-8-18(5-4-14-30)15-21(23)24(22)31/h6-11,15,17,30H,1-3,12-14,16H2,(H,27,32)
InChIKey
GBVQENXOSSIROQ-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-piperidin-1-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.1506 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.15788 210.0
[M+Na]+ 472.13982 218.4
[M-H]- 448.14332 211.8
[M+NH4]+ 467.18442 215.1
[M+K]+ 488.11376 206.6
[M+H-H2O]+ 432.14786 193.2
[M+HCOO]- 494.14880 214.3
[M+CH3COO]- 508.16445 214.4
[M+Na-2H]- 470.12527 208.2
[M]+ 449.15005 202.7
[M]- 449.15115 202.7
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.