CID 495780

8,8-diphenyl-7-oxa-1-aza-8-boranuidabicyclo[3.3.0]octan-6-one

Structural Information

Molecular Formula
C17H17BNO2
SMILES
[B-]1(N2CCCC2C(=O)O1)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H17BNO2/c20-17-16-12-7-13-19(16)18(21-17,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2/q-1
InChIKey
CTPIIDNYBDZAHL-UHFFFAOYSA-N
Compound name
2,2-diphenyl-3-oxa-1-aza-2-boranuidabicyclo[3.3.0]octan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.13522 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14250 160.0
[M+Na]+ 301.12444 166.7
[M-H]- 277.12794 168.3
[M+NH4]+ 296.16904 178.6
[M+K]+ 317.09838 163.1
[M+H-H2O]+ 261.13248 154.5
[M+HCOO]- 323.13342 179.3
[M+CH3COO]- 337.14907 171.8
[M+Na-2H]- 299.10989 162.1
[M]+ 278.13467 155.6
[M]- 278.13577 155.6
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.