CID 54683810

376377-64-9

Structural Information

Molecular Formula
C18H16N2O4
SMILES
C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C(=O)NCC4=CC=CO4)O
InChI
InChI=1S/C18H16N2O4/c21-16-13-7-1-4-11-5-2-8-20(15(11)13)18(23)14(16)17(22)19-10-12-6-3-9-24-12/h1,3-4,6-7,9,21H,2,5,8,10H2,(H,19,22)
InChIKey
XDCAKOZUCQKAIB-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

324.111 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.118276 171.6
[M+Na]+ 347.100218 180.1
[M-H]- 323.103724 178.2
[M+NH4]+ 342.144823 186.1
[M+K]+ 363.074158 176.4
[M+H-H2O]+ 307.108260 163.5
[M+HCOO]- 369.109201 190.8
[M+CH3COO]- 383.124851 182.9
[M+Na-2H]- 345.085666 177.1
[M]+ 324.11045142 174.6
[M]- 324.11154858 174.6
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.