CID 3068505

5-oxa-1,2-diazadibenz(cd,f)azulen-3(2h)-one, 6,7-dihydro-

Structural Information

Molecular Formula
C14H10N2O2
SMILES
C1CC2=C3C(=CO2)C(=O)NN=C3C4=CC=CC=C41
InChI
InChI=1S/C14H10N2O2/c17-14-10-7-18-11-6-5-8-3-1-2-4-9(8)13(12(10)11)15-16-14/h1-4,7H,5-6H2,(H,16,17)
InChIKey
DGOONHKWZGJSRZ-UHFFFAOYSA-N
Compound name
11-oxa-15,16-diazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,4,6,10(17),12-hexaen-14-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.08151 149.4
[M+Na]+ 261.06345 160.8
[M-H]- 237.06695 154.6
[M+NH4]+ 256.10805 167.2
[M+K]+ 277.03739 159.2
[M+H-H2O]+ 221.07149 143.5
[M+HCOO]- 283.07243 167.9
[M+CH3COO]- 297.08808 162.3
[M+Na-2H]- 259.04890 158.8
[M]+ 238.07368 150.2
[M]- 238.07478 150.2
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.