CID 54682367

384361-71-1

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=C(C3=CC=CC4=C3N(C2=O)CC4)O
InChI
InChI=1S/C20H18N2O3/c1-12(13-6-3-2-4-7-13)21-19(24)16-18(23)15-9-5-8-14-10-11-22(17(14)15)20(16)25/h2-9,12,23H,10-11H2,1H3,(H,21,24)
InChIKey
UVILXWZMEDEBBV-UHFFFAOYSA-N
Compound name
9-hydroxy-11-oxo-N-(1-phenylethyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.139016 177.2
[M+Na]+ 357.120958 184.5
[M-H]- 333.124464 182.8
[M+NH4]+ 352.165563 192.5
[M+K]+ 373.094898 179.3
[M+H-H2O]+ 317.129000 169.1
[M+HCOO]- 379.129941 195.5
[M+CH3COO]- 393.145591 187.5
[M+Na-2H]- 355.106406 180.0
[M]+ 334.13119142 178.3
[M]- 334.13228858 178.3
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.