CID 3078268

120466-19-5

Structural Information

Molecular Formula
C22H33ClN2O2S
SMILES
CC(C)CN1CC2CN(CC(C1)C23CCCCC3)S(=O)(=O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H33ClN2O2S/c1-17(2)12-24-13-18-15-25(28(26,27)21-8-6-7-20(23)11-21)16-19(14-24)22(18)9-4-3-5-10-22/h6-8,11,17-19H,3-5,9-10,12-16H2,1-2H3
InChIKey
JWBGRPADDRWMBI-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)sulfonyl-7-(2-methylpropyl)spiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19513 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20241 200.0
[M+Na]+ 447.18435 202.9
[M-H]- 423.18785 203.3
[M+NH4]+ 442.22895 211.5
[M+K]+ 463.15829 197.0
[M+H-H2O]+ 407.19239 191.0
[M+HCOO]- 469.19333 197.4
[M+CH3COO]- 483.20898 205.7
[M+Na-2H]- 445.16980 199.3
[M]+ 424.19458 196.7
[M]- 424.19568 196.7
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.