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 159.0
[M+Na]+ 272.14097 166.6
[M-H]- 248.14447 166.6
[M+NH4]+ 267.18557 171.7
[M+K]+ 288.11491 161.3
[M+H-H2O]+ 232.14901 150.4
[M+HCOO]- 294.14995 176.7
[M+CH3COO]- 308.16560 169.5
[M+Na-2H]- 270.12642 165.8
[M]+ 249.15120 155.7
[M]- 249.15230 155.7
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.