CID 3059103

Brn 5584062

Structural Information

Molecular Formula
C18H15NO2
SMILES
C1C2COC(O2)(C3=CC4=CC=CC=C4N31)C5=CC=CC=C5
InChI
InChI=1S/C18H15NO2/c1-2-7-14(8-3-1)18-17-10-13-6-4-5-9-16(13)19(17)11-15(21-18)12-20-18/h1-10,15H,11-12H2
InChIKey
HZMGIITWQOEART-UHFFFAOYSA-N
Compound name
1-phenyl-14,15-dioxa-10-azatetracyclo[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

277.1103 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.117576 158.5
[M+Na]+ 300.099518 168.9
[M-H]- 276.103024 167.1
[M+NH4]+ 295.144123 179.5
[M+K]+ 316.073458 165.6
[M+H-H2O]+ 260.107560 151.5
[M+HCOO]- 322.108501 176.6
[M+CH3COO]- 336.124151 171.6
[M+Na-2H]- 298.084966 166.0
[M]+ 277.10975142 161.5
[M]- 277.11084858 161.5
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.