CID 54684399

4-hydroxy-2-oxo-1-pentyl-n-(pyrimidin-2-yl)-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C19H20N4O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC=CC=N3)O
InChI
InChI=1S/C19H20N4O3/c1-2-3-6-12-23-14-9-5-4-8-13(14)16(24)15(18(23)26)17(25)22-19-20-10-7-11-21-19/h4-5,7-11,24H,2-3,6,12H2,1H3,(H,20,21,22,25)
InChIKey
WLGHURCUEMTQNY-UHFFFAOYSA-N
Compound name
4-hydroxy-2-oxo-1-pentyl-N-pyrimidin-2-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.15353 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16081 184.7
[M+Na]+ 375.14275 192.7
[M-H]- 351.14625 187.2
[M+NH4]+ 370.18735 193.5
[M+K]+ 391.11669 186.6
[M+H-H2O]+ 335.15079 173.9
[M+HCOO]- 397.15173 202.4
[M+CH3COO]- 411.16738 215.2
[M+Na-2H]- 373.12820 189.5
[M]+ 352.15298 186.8
[M]- 352.15408 186.8
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.