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 151.3
[M+Na]+ 267.07402 159.4
[M-H]- 243.07752 153.0
[M+NH4]+ 262.11862 169.0
[M+K]+ 283.04796 155.7
[M+H-H2O]+ 227.08206 144.0
[M+HCOO]- 289.08300 163.2
[M+CH3COO]- 303.09865 162.2
[M+Na-2H]- 265.05947 156.2
[M]+ 244.08425 148.6
[M]- 244.08535 148.6
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.