CID 3059099

76099-32-6

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1CN2C3=CC=CC=C3N=C2C4(OCC1O4)C5=CC=CC=C5
InChI
InChI=1S/C18H16N2O2/c1-2-6-13(7-3-1)18-17-19-15-8-4-5-9-16(15)20(17)11-10-14(22-18)12-21-18/h1-9,14H,10-12H2
InChIKey
GUNXFMHQOJAAJC-UHFFFAOYSA-N
Compound name
1-phenyl-15,16-dioxa-3,10-diazatetracyclo[11.2.1.02,10.04,9]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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.2
[M+Na]+ 315.11042 180.1
[M+NH4]+ 310.15502 177.5
[M+K]+ 331.08436 175.5
[M-H]- 291.11392 172.8
[M+Na-2H]- 313.09587 172.5
[M]+ 292.12065 171.0
[M]- 292.12175 171.0
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.