CID 41982

3,3-diphenyl-7-azabicyclo(4.1.0)heptane

Structural Information

Molecular Formula
C18H19N
SMILES
C1CC(CC2C1N2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C18H19N/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)12-11-16-17(13-18)19-16/h1-10,16-17,19H,11-13H2
InChIKey
OVIGASLGQWKOKT-UHFFFAOYSA-N
Compound name
3,3-diphenyl-7-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 163.4
[M+Na]+ 272.14097 180.2
[M+NH4]+ 267.18557 175.8
[M+K]+ 288.11491 169.9
[M-H]- 248.14447 177.1
[M+Na-2H]- 270.12642 177.0
[M]+ 249.15120 171.2
[M]- 249.15230 171.2
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.