CID 3059102

Brn 5602866

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1C2COC(C3=NC4=CC=CC=C4N31)(OC2)C5=CC=CC=C5
InChI
InChI=1S/C18H16N2O2/c1-2-6-14(7-3-1)18-17-19-15-8-4-5-9-16(15)20(17)10-13(11-21-18)12-22-18/h1-9,13H,10-12H2
InChIKey
CZUFMVYHPVUOAY-UHFFFAOYSA-N
Compound name
1-phenyl-14,15-dioxa-3,10-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1212 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 166.1
[M+Na]+ 315.11042 178.3
[M-H]- 291.11392 173.1
[M+NH4]+ 310.15502 183.8
[M+K]+ 331.08436 172.5
[M+H-H2O]+ 275.11846 162.6
[M+HCOO]- 337.11940 177.3
[M+CH3COO]- 351.13505 176.5
[M+Na-2H]- 313.09587 176.8
[M]+ 292.12065 168.6
[M]- 292.12175 168.6
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.