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]+ 301.151076 167.9
[M+Na]+ 323.133018 173.3
[M-H]- 299.136524 172.2
[M+NH4]+ 318.177623 170.7
[M+K]+ 339.106958 172.9
[M+H-H2O]+ 283.141060 149.1
[M+HCOO]- 345.142001 179.8
[M+CH3COO]- 359.157651 175.7
[M+Na-2H]- 321.118466 171.1
[M]+ 300.14325142 177.7
[M]- 300.14434858 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.