CID 54684114

Oprea1_395488

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=CC=C3N)O
InChI
InChI=1S/C19H19N3O3/c1-2-11-22-15-10-6-3-7-12(15)17(23)16(19(22)25)18(24)21-14-9-5-4-8-13(14)20/h3-10,23H,2,11,20H2,1H3,(H,21,24)
InChIKey
OAEMXEVJLKVPSS-UHFFFAOYSA-N
Compound name
N-(2-aminophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 179.5
[M+Na]+ 360.13186 187.6
[M-H]- 336.13536 184.7
[M+NH4]+ 355.17646 191.5
[M+K]+ 376.10580 182.0
[M+H-H2O]+ 320.13990 170.4
[M+HCOO]- 382.14084 200.3
[M+CH3COO]- 396.15649 215.8
[M+Na-2H]- 358.11731 182.9
[M]+ 337.14209 179.5
[M]- 337.14319 179.5
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.