CID 3059077

Brn 5620695

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC=CC=C1C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C18H16N2O3/c1-21-16-9-5-2-6-13(16)18-17-19-14-7-3-4-8-15(14)20(17)10-12(23-18)11-22-18/h2-9,12H,10-11H2,1H3
InChIKey
GWZBKYPCIKQSGU-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-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

308.1161 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 168.6
[M+Na]+ 331.10532 183.9
[M+NH4]+ 326.14992 179.6
[M+K]+ 347.07926 178.3
[M-H]- 307.10882 174.7
[M+Na-2H]- 329.09077 173.9
[M]+ 308.11555 172.9
[M]- 308.11665 172.9
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.