CID 3069309

5-(1,1'-biphenyl)-4-yl-6,8-dioxa-3-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C17H17NO2
SMILES
C1C2COC(O2)(CN1)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H17NO2/c1-2-4-13(5-3-1)14-6-8-15(9-7-14)17-12-18-10-16(20-17)11-19-17/h1-9,16,18H,10-12H2
InChIKey
DGOZPLJIASSIKR-UHFFFAOYSA-N
Compound name
5-(4-phenylphenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12592 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.13320 161.6
[M+Na]+ 290.11514 175.8
[M+NH4]+ 285.15974 172.8
[M+K]+ 306.08908 168.0
[M-H]- 266.11864 169.4
[M+Na-2H]- 288.10059 169.6
[M]+ 267.12537 166.2
[M]- 267.12647 166.2
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.