CID 362177

Nsc625761

Structural Information

Molecular Formula
C22H25NO5S
SMILES
COC1(CC2C(CC1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C22H25NO5S/c1-27-22(28-2)14-18-19(29(25,26)17-11-7-4-8-12-17)13-20(22)23(21(18)24)15-16-9-5-3-6-10-16/h3-12,18-20H,13-15H2,1-2H3
InChIKey
LSTRNHDFMKMGPY-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)-2-benzyl-7,7-dimethoxy-2-azabicyclo[2.2.2]octan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.14536 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.15264 195.8
[M+Na]+ 438.13458 200.0
[M-H]- 414.13808 196.4
[M+NH4]+ 433.17918 210.9
[M+K]+ 454.10852 197.0
[M+H-H2O]+ 398.14262 187.3
[M+HCOO]- 460.14356 199.7
[M+CH3COO]- 474.15921 202.7
[M+Na-2H]- 436.12003 205.2
[M]+ 415.14481 203.4
[M]- 415.14591 203.4
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.