CID 3059075

Brn 5602519

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CC1=CC=CC=C1C23C4=NC5=CC=CC=C5N4CC(O2)CO3
InChI
InChI=1S/C18H16N2O2/c1-12-6-2-3-7-14(12)18-17-19-15-8-4-5-9-16(15)20(17)10-13(22-18)11-21-18/h2-9,13H,10-11H2,1H3
InChIKey
MMRLKJQCOFGNJX-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)-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

292.1212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 165.3
[M+Na]+ 315.11042 181.1
[M+NH4]+ 310.15502 176.9
[M+K]+ 331.08436 174.9
[M-H]- 291.11392 171.8
[M+Na-2H]- 313.09587 171.0
[M]+ 292.12065 169.8
[M]- 292.12175 169.8
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.