CID 13592840

5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one

Structural Information

Molecular Formula
C18H17NO2
SMILES
CN1C2C(C(C1=O)OC2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H17NO2/c1-19-15-14(12-8-4-2-5-9-12)17(18(19)20)21-16(15)13-10-6-3-7-11-13/h2-11,14-17H,1H3
InChIKey
QVGJMLNUOQHRAS-UHFFFAOYSA-N
Compound name
5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.12592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.13320 163.7
[M+Na]+ 302.11514 177.7
[M+NH4]+ 297.15974 173.3
[M+K]+ 318.08908 173.7
[M-H]- 278.11864 169.9
[M+Na-2H]- 300.10059 169.5
[M]+ 279.12537 167.6
[M]- 279.12647 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe