CID 54686481

Oprea1_149821

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC(C)CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=N3)O
InChI
InChI=1S/C19H19N3O3/c1-12(2)11-22-14-8-4-3-7-13(14)17(23)16(19(22)25)18(24)21-15-9-5-6-10-20-15/h3-10,12,23H,11H2,1-2H3,(H,20,21,24)
InChIKey
DTQFBQJZLVFVRT-UHFFFAOYSA-N
Compound name
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyridin-2-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

337.14264 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.7
[M+Na]+ 360.13186 187.4
[M-H]- 336.13536 183.7
[M+NH4]+ 355.17646 190.5
[M+K]+ 376.10580 182.2
[M+H-H2O]+ 320.13990 169.9
[M+HCOO]- 382.14084 197.8
[M+CH3COO]- 396.15649 213.3
[M+Na-2H]- 358.11731 183.3
[M]+ 337.14209 180.8
[M]- 337.14319 180.8
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

patents stripe