CID 54690419

Mls000711357

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=CC=N3)C)O
InChI
InChI=1S/C19H19N3O3/c1-3-11-22-14-9-5-4-8-13(14)16(23)15(19(22)25)18(24)21-17-12(2)7-6-10-20-17/h4-10,23H,3,11H2,1-2H3,(H,20,21,24)
InChIKey
PTXGZMOYXGGLBS-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-methylpyridin-2-yl)-2-oxo-1-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

337.14264 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 180.5
[M+Na]+ 360.13186 189.5
[M-H]- 336.13536 184.8
[M+NH4]+ 355.17646 191.7
[M+K]+ 376.10580 183.7
[M+H-H2O]+ 320.13990 170.7
[M+HCOO]- 382.14084 199.5
[M+CH3COO]- 396.15649 213.7
[M+Na-2H]- 358.11731 184.4
[M]+ 337.14209 182.6
[M]- 337.14319 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.