CID 99722751

1349199-71-8

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CC3(C2)C(=O)CN3CC4=CC=CC=C4
InChI
InChI=1S/C19H20N2O3S/c1-15-7-9-17(10-8-15)25(23,24)21-13-19(14-21)18(22)12-20(19)11-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKey
NIUURRMQZVBZSY-UHFFFAOYSA-N
Compound name
1-benzyl-6-(4-methylphenyl)sulfonyl-1,6-diazaspiro[3.3]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 169.2
[M+Na]+ 379.10870 173.7
[M-H]- 355.11220 176.3
[M+NH4]+ 374.15330 168.8
[M+K]+ 395.08264 175.1
[M+H-H2O]+ 339.11674 150.3
[M+HCOO]- 401.11768 179.4
[M+CH3COO]- 415.13333 219.0
[M+Na-2H]- 377.09415 171.5
[M]+ 356.11893 186.6
[M]- 356.12003 186.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.