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]+ 268.133196 159.4
[M+Na]+ 290.115138 165.6
[M-H]- 266.118644 166.6
[M+NH4]+ 285.159743 175.7
[M+K]+ 306.089078 162.7
[M+H-H2O]+ 250.123180 151.2
[M+HCOO]- 312.124121 174.6
[M+CH3COO]- 326.139771 170.4
[M+Na-2H]- 288.100586 166.2
[M]+ 267.12537142 156.1
[M]- 267.12646858 156.1
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.