CID 3059100

Brn 5616075

Structural Information

Molecular Formula
C19H18N2O2
SMILES
C1CC2COC(O2)(C3=NC4=CC=CC=C4N3C1)C5=CC=CC=C5
InChI
InChI=1S/C19H18N2O2/c1-2-7-14(8-3-1)19-18-20-16-10-4-5-11-17(16)21(18)12-6-9-15(23-19)13-22-19/h1-5,7-8,10-11,15H,6,9,12-13H2
InChIKey
YTJWTGPZPHNPGT-UHFFFAOYSA-N
Compound name
1-phenyl-16,17-dioxa-3,10-diazatetracyclo[12.2.1.02,10.04,9]heptadeca-2,4,6,8-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 183.3
[M+Na]+ 329.12606 187.7
[M+NH4]+ 324.17066 186.5
[M+K]+ 345.10000 185.2
[M-H]- 305.12956 185.0
[M+Na-2H]- 327.11151 184.1
[M]+ 306.13629 184.5
[M]- 306.13739 184.5
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.