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]+ 239.081506 149.4
[M+Na]+ 261.063448 160.8
[M-H]- 237.066954 154.6
[M+NH4]+ 256.108053 167.2
[M+K]+ 277.037388 159.2
[M+H-H2O]+ 221.071490 143.5
[M+HCOO]- 283.072431 167.9
[M+CH3COO]- 297.088081 162.3
[M+Na-2H]- 259.048896 158.8
[M]+ 238.07368142 150.2
[M]- 238.07477858 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.