CID 6447465

Brn 5509677

Structural Information

Molecular Formula
C14H19NS
SMILES
CC1(NCCS1)CC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H19NS/c1-14(15-11-12-16-14)10-6-5-9-13-7-3-2-4-8-13/h2-5,7-9,15H,6,10-12H2,1H3/b9-5+
InChIKey
UCWCWAWPOSCQBH-WEVVVXLNSA-N
Compound name
2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12383 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13111 155.6
[M+Na]+ 256.11305 166.6
[M+NH4]+ 251.15765 166.1
[M+K]+ 272.08699 156.2
[M-H]- 232.11655 158.9
[M+Na-2H]- 254.09850 163.2
[M]+ 233.12328 158.6
[M]- 233.12438 158.6
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.