CID 71741942

6-benzhydryl-3,3-difluoro-1,6-diazaspiro[3.3]heptane

Structural Information

Molecular Formula
C18H18F2N2
SMILES
C1C(C2(N1)CN(C2)C(C3=CC=CC=C3)C4=CC=CC=C4)(F)F
InChI
InChI=1S/C18H18F2N2/c19-18(20)11-21-17(18)12-22(13-17)16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,21H,11-13H2
InChIKey
GQOMJRFLSOTZSO-UHFFFAOYSA-N
Compound name
6-benzhydryl-3,3-difluoro-1,6-diazaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.1438 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15108 167.9
[M+Na]+ 323.13302 173.3
[M-H]- 299.13652 172.2
[M+NH4]+ 318.17762 170.7
[M+K]+ 339.10696 172.9
[M+H-H2O]+ 283.14106 149.1
[M+HCOO]- 345.14200 179.8
[M+CH3COO]- 359.15765 175.7
[M+Na-2H]- 321.11847 171.1
[M]+ 300.14325 177.7
[M]- 300.14435 177.7
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.