CID 54687822

Cambridge id 5657240

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CNC(=O)C1=C(C2=CC=CC=C2N(C1=O)CC=C)O
InChI
InChI=1S/C14H14N2O3/c1-3-8-16-10-7-5-4-6-9(10)12(17)11(14(16)19)13(18)15-2/h3-7,17H,1,8H2,2H3,(H,15,18)
InChIKey
ZJMFSWMEYJBJKR-UHFFFAOYSA-N
Compound name
4-hydroxy-N-methyl-2-oxo-1-prop-2-enylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

258.10043 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.107706 156.2
[M+Na]+ 281.089648 165.7
[M-H]- 257.093154 158.8
[M+NH4]+ 276.134253 172.4
[M+K]+ 297.063588 161.2
[M+H-H2O]+ 241.097690 149.2
[M+HCOO]- 303.098631 177.3
[M+CH3COO]- 317.114281 197.8
[M+Na-2H]- 279.075096 161.0
[M]+ 258.09988142 157.7
[M]- 258.10097858 157.7
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.