CID 16073844

3-quinolinecarboxamide, n-[(4-chlorophenyl)methyl]-6-(1-ethyl-3-hydroxypropyl)-1,4-dihydro-1-methyl-4-oxo-

Structural Information

Molecular Formula
C23H25ClN2O3
SMILES
CCC(CCO)C1=CC2=C(C=C1)N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C
InChI
InChI=1S/C23H25ClN2O3/c1-3-16(10-11-27)17-6-9-21-19(12-17)22(28)20(14-26(21)2)23(29)25-13-15-4-7-18(24)8-5-15/h4-9,12,14,16,27H,3,10-11,13H2,1-2H3,(H,25,29)
InChIKey
KQLYYGIVABXRAT-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-6-(1-hydroxypentan-3-yl)-1-methyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.15536 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.16264 198.9
[M+Na]+ 435.14458 206.4
[M-H]- 411.14808 203.6
[M+NH4]+ 430.18918 209.2
[M+K]+ 451.11852 199.4
[M+H-H2O]+ 395.15262 190.1
[M+HCOO]- 457.15356 212.4
[M+CH3COO]- 471.16921 227.1
[M+Na-2H]- 433.13003 199.1
[M]+ 412.15481 203.7
[M]- 412.15591 203.7
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.