CID 2876959

Mls000108814

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C)C(=O)NC(C1=C(C2=C(C=CC=N2)C=C1)O)C3=CC=CO3
InChI
InChI=1S/C18H18N2O3/c1-11(2)18(22)20-16(14-6-4-10-23-14)13-8-7-12-5-3-9-19-15(12)17(13)21/h3-11,16,21H,1-2H3,(H,20,22)
InChIKey
PBZYAPZLINAHET-UHFFFAOYSA-N
Compound name
N-[furan-2-yl-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

15
Patents

310.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.7
[M+Na]+ 333.120958 179.6
[M-H]- 309.124464 178.9
[M+NH4]+ 328.165563 186.3
[M+K]+ 349.094898 176.8
[M+H-H2O]+ 293.129000 164.7
[M+HCOO]- 355.129941 192.8
[M+CH3COO]- 369.145591 206.2
[M+Na-2H]- 331.106406 175.8
[M]+ 310.13119142 175.2
[M]- 310.13228858 175.2
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.