CID 10857709

Chebi:174261

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1CN2C(CC3=CNC4=C3C2=CC(=O)C4=O)OC1
InChI
InChI=1S/C13H12N2O3/c16-9-5-8-11-7(6-14-12(11)13(9)17)4-10-15(8)2-1-3-18-10/h5-6,10,14H,1-4H2
InChIKey
GTVMGUBGOSWMOJ-UHFFFAOYSA-N
Compound name
6-oxa-2,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),9,12(16)-triene-13,14-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.2
[M+Na]+ 267.07402 165.1
[M+NH4]+ 262.11862 161.7
[M+K]+ 283.04796 161.1
[M-H]- 243.07752 155.0
[M+Na-2H]- 265.05947 153.6
[M]+ 244.08425 155.2
[M]- 244.08535 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.