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 196.4
[M+Na]+ 425.16695 202.8
[M-H]- 401.17045 200.1
[M+NH4]+ 420.21155 208.2
[M+K]+ 441.14089 196.4
[M+H-H2O]+ 385.17499 185.6
[M+HCOO]- 447.17593 202.3
[M+CH3COO]- 461.19158 203.7
[M+Na-2H]- 423.15240 198.4
[M]+ 402.17718 194.4
[M]- 402.17828 194.4
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.