CID 3059085

Brn 5632392

Structural Information

Molecular Formula
C18H13F3N2O2
SMILES
C1C2COC(O2)(C3=NC4=C(N31)C=CC(=C4)C(F)(F)F)C5=CC=CC=C5
InChI
InChI=1S/C18H13F3N2O2/c19-18(20,21)12-6-7-15-14(8-12)22-16-17(11-4-2-1-3-5-11)24-10-13(25-17)9-23(15)16/h1-8,13H,9-10H2
InChIKey
ZJYRKVCNSBHAFA-UHFFFAOYSA-N
Compound name
1-phenyl-6-(trifluoromethyl)-14,15-dioxa-3,10-diazatetracyclo[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

346.09293 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10021 175.7
[M+Na]+ 369.08215 187.0
[M+NH4]+ 364.12675 183.7
[M+K]+ 385.05609 182.5
[M-H]- 345.08565 176.4
[M+Na-2H]- 367.06760 178.6
[M]+ 346.09238 177.6
[M]- 346.09348 177.6
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.