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]+ 325.11828 171.6
[M+Na]+ 347.10022 180.1
[M-H]- 323.10372 178.2
[M+NH4]+ 342.14482 186.1
[M+K]+ 363.07416 176.4
[M+H-H2O]+ 307.10826 163.5
[M+HCOO]- 369.10920 190.8
[M+CH3COO]- 383.12485 182.9
[M+Na-2H]- 345.08567 177.1
[M]+ 324.11045 174.6
[M]- 324.11155 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.