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 171.6
[M+Na]+ 379.10870 175.7
[M+NH4]+ 374.15330 172.0
[M+K]+ 395.08264 170.6
[M-H]- 355.11220 170.2
[M+Na-2H]- 377.09415 176.0
[M]+ 356.11893 170.2
[M]- 356.12003 170.2
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.