CID 3059073

Brn 5608351

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1C2COC(O2)(C3=NC4=CC=CC=C4N31)C5=CC=CC=C5Cl
InChI
InChI=1S/C17H13ClN2O2/c18-13-6-2-1-5-12(13)17-16-19-14-7-3-4-8-15(14)20(16)9-11(22-17)10-21-17/h1-8,11H,9-10H2
InChIKey
KUKDUIVOOSMRGV-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-14,15-dioxa-3,10-diazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 166.8
[M+Na]+ 335.05578 183.7
[M+NH4]+ 330.10038 178.8
[M+K]+ 351.02972 176.8
[M-H]- 311.05928 173.4
[M+Na-2H]- 333.04123 172.8
[M]+ 312.06601 171.9
[M]- 312.06711 171.9
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.