CID 335859

I5u3o2f0rg

Structural Information

Molecular Formula
C17H10N2O2
SMILES
C1=CC=C2C(=C1)C3=CC4=C(C=C3O2)N5C=CC=C5C(=O)N4
InChI
InChI=1S/C17H10N2O2/c20-17-13-5-3-7-19(13)14-9-16-11(8-12(14)18-17)10-4-1-2-6-15(10)21-16/h1-9H,(H,18,20)
InChIKey
UZHBLXOMWRPKHX-UHFFFAOYSA-N
Compound name
20-oxa-4,10-diazapentacyclo[11.7.0.03,11.04,8.014,19]icosa-1,3(11),5,7,12,14,16,18-octaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07422 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08150 156.8
[M+Na]+ 297.06344 172.4
[M-H]- 273.06694 163.7
[M+NH4]+ 292.10804 176.7
[M+K]+ 313.03738 166.2
[M+H-H2O]+ 257.07148 150.2
[M+HCOO]- 319.07242 179.0
[M+CH3COO]- 333.08807 171.3
[M+Na-2H]- 295.04889 166.0
[M]+ 274.07367 164.0
[M]- 274.07477 164.0
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.