CID 24846913

102367-37-3

Structural Information

Molecular Formula
C17H25NO3S
SMILES
CN(C)CCCOOC(=O)C(C1CCSC1)C2=CC=CC=C2
InChI
InChI=1S/C17H25NO3S/c1-18(2)10-6-11-20-21-17(19)16(15-9-12-22-13-15)14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3
InChIKey
UHWLCRDPEWKFMR-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl 2-phenyl-2-(thiolan-3-yl)ethaneperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15552 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.16280 180.0
[M+Na]+ 346.14474 182.2
[M-H]- 322.14824 186.6
[M+NH4]+ 341.18934 196.0
[M+K]+ 362.11868 180.8
[M+H-H2O]+ 306.15278 172.0
[M+HCOO]- 368.15372 196.4
[M+CH3COO]- 382.16937 209.7
[M+Na-2H]- 344.13019 176.9
[M]+ 323.15497 183.3
[M]- 323.15607 183.3
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.