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]+ 335.13902 177.2
[M+Na]+ 357.12096 184.5
[M-H]- 333.12446 182.8
[M+NH4]+ 352.16556 192.5
[M+K]+ 373.09490 179.3
[M+H-H2O]+ 317.12900 169.1
[M+HCOO]- 379.12994 195.5
[M+CH3COO]- 393.14559 187.5
[M+Na-2H]- 355.10641 180.0
[M]+ 334.13119 178.3
[M]- 334.13229 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.