CID 3059096

Brn 5599098

Structural Information

Molecular Formula
C16H13N3O2
SMILES
C1C2COC(O2)(C3=NC4=C(N31)C=CN=C4)C5=CC=CC=C5
InChI
InChI=1S/C16H13N3O2/c1-2-4-11(5-3-1)16-15-18-13-8-17-7-6-14(13)19(15)9-12(21-16)10-20-16/h1-8,12H,9-10H2
InChIKey
DTGHEJLFMPOKAV-UHFFFAOYSA-N
Compound name
1-phenyl-14,15-dioxa-3,6,10-triazatetracyclo[10.2.1.02,10.04,9]pentadeca-2,4(9),5,7-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.10077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 161.0
[M+Na]+ 302.08999 176.6
[M+NH4]+ 297.13459 172.0
[M+K]+ 318.06393 171.0
[M-H]- 278.09349 166.6
[M+Na-2H]- 300.07544 166.9
[M]+ 279.10022 165.2
[M]- 279.10132 165.2
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.