CID 3059076

Brn 5617237

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC=CC(=C1)C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C18H16N2O3/c1-21-13-6-4-5-12(9-13)18-17-19-15-7-2-3-8-16(15)20(17)10-14(23-18)11-22-18/h2-9,14H,10-11H2,1H3
InChIKey
KNLXMDDCEIBRBJ-UHFFFAOYSA-N
Compound name
1-(3-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 166.2
[M+Na]+ 331.10532 177.0
[M-H]- 307.10882 173.7
[M+NH4]+ 326.14992 184.7
[M+K]+ 347.07926 174.4
[M+H-H2O]+ 291.11336 158.2
[M+HCOO]- 353.11430 182.9
[M+CH3COO]- 367.12995 178.6
[M+Na-2H]- 329.09077 172.8
[M]+ 308.11555 171.4
[M]- 308.11665 171.4
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.