CID 54676960

Oprea1_513788

Structural Information

Molecular Formula
C18H14N2O3
SMILES
C1CN2C3=C1C=CC=C3C(=C(C2=O)C(=O)NC4=CC=CC=C4)O
InChI
InChI=1S/C18H14N2O3/c21-16-13-8-4-5-11-9-10-20(15(11)13)18(23)14(16)17(22)19-12-6-2-1-3-7-12/h1-8,21H,9-10H2,(H,19,22)
InChIKey
QGRHKOUWUUNPBO-UHFFFAOYSA-N
Compound name
9-hydroxy-11-oxo-N-phenyl-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

6
Patents

306.10043 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 167.7
[M+Na]+ 329.08965 176.3
[M-H]- 305.09315 173.7
[M+NH4]+ 324.13425 184.3
[M+K]+ 345.06359 170.9
[M+H-H2O]+ 289.09769 159.8
[M+HCOO]- 351.09863 187.7
[M+CH3COO]- 365.11428 179.1
[M+Na-2H]- 327.07510 172.7
[M]+ 306.09988 168.7
[M]- 306.10098 168.7
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

patents stripe