CID 11971485

102732-66-1

Structural Information

Molecular Formula
C20H22NOS2
SMILES
CC[N+](=C1SC(S1)(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC
InChI
InChI=1S/C20H22NOS2/c1-3-21(4-2)19-23-20(24-19,17-13-9-6-10-14-17)15-18(22)16-11-7-5-8-12-16/h5-14H,3-4,15H2,1-2H3/q+1
InChIKey
CUERWBLBRUQEOD-UHFFFAOYSA-N
Compound name
diethyl-(4-phenacyl-4-phenyl-1,3-dithietan-2-ylidene)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1143 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12158 177.9
[M+Na]+ 379.10352 179.8
[M-H]- 355.10702 186.4
[M+NH4]+ 374.14812 185.7
[M+K]+ 395.07746 172.4
[M+H-H2O]+ 339.11156 165.4
[M+HCOO]- 401.11250 187.9
[M+CH3COO]- 415.12815 211.1
[M+Na-2H]- 377.08897 179.3
[M]+ 356.11375 185.8
[M]- 356.11485 185.8
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.