CID 137321833

Brn 0204169

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CCC1C(SC(=N)NC1=O)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2OS/c1-2-9-10(8-6-4-3-5-7-8)16-12(13)14-11(9)15/h3-7,9-10H,2H2,1H3,(H2,13,14,15)
InChIKey
DSPNNQXADBZBQL-UHFFFAOYSA-N
Compound name
5-ethyl-2-imino-6-phenyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 150.9
[M+Na]+ 257.07191 157.6
[M-H]- 233.07541 154.6
[M+NH4]+ 252.11651 167.0
[M+K]+ 273.04585 151.9
[M+H-H2O]+ 217.07995 143.8
[M+HCOO]- 279.08089 165.2
[M+CH3COO]- 293.09654 189.6
[M+Na-2H]- 255.05736 152.1
[M]+ 234.08214 146.4
[M]- 234.08324 146.4
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.