CID 3078265

120466-12-8

Structural Information

Molecular Formula
C22H27FN2O2S
SMILES
CC1(C2CN(CC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4)C
InChI
InChI=1S/C22H27FN2O2S/c1-22(2)18-13-24(12-17-6-4-3-5-7-17)14-19(22)16-25(15-18)28(26,27)21-10-8-20(23)9-11-21/h3-11,18-19H,12-16H2,1-2H3
InChIKey
SVCXFEDNKLTOAE-UHFFFAOYSA-N
Compound name
3-benzyl-7-(4-fluorophenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.17773 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18501 195.1
[M+Na]+ 425.16695 207.8
[M+NH4]+ 420.21155 203.9
[M+K]+ 441.14089 196.0
[M-H]- 401.17045 198.0
[M+Na-2H]- 423.15240 202.2
[M]+ 402.17718 198.4
[M]- 402.17828 198.4
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.