CID 24846911

102367-36-2

Structural Information

Molecular Formula
C16H23NO3S
SMILES
CN(C)CCOOC(=O)C(C1CCSC1)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO3S/c1-17(2)9-10-19-20-16(18)15(14-8-11-21-12-14)13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3
InChIKey
HUHVYAWQHDITJP-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-phenyl-2-(thiolan-3-yl)ethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.13986 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.14714 172.5
[M+Na]+ 332.12908 180.3
[M+NH4]+ 327.17368 180.1
[M+K]+ 348.10302 174.9
[M-H]- 308.13258 175.6
[M+Na-2H]- 330.11453 177.3
[M]+ 309.13931 174.7
[M]- 309.14041 174.7
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.