CID 54676951

384365-15-5

Structural Information

Molecular Formula
C13H12N2O3
SMILES
CNC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CC3)O
InChI
InChI=1S/C13H12N2O3/c1-14-12(17)9-11(16)8-4-2-3-7-5-6-15(10(7)8)13(9)18/h2-4,16H,5-6H2,1H3,(H,14,17)
InChIKey
VBHDECYADVHORN-UHFFFAOYSA-N
Compound name
9-hydroxy-N-methyl-11-oxo-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

5
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 151.3
[M+Na]+ 267.07402 160.9
[M-H]- 243.07752 154.3
[M+NH4]+ 262.11862 171.0
[M+K]+ 283.04796 157.1
[M+H-H2O]+ 227.08206 145.2
[M+HCOO]- 289.08300 171.7
[M+CH3COO]- 303.09865 194.7
[M+Na-2H]- 265.05947 156.6
[M]+ 244.08425 153.2
[M]- 244.08535 153.2
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.