CID 13428497

97699-30-4

Structural Information

Molecular Formula
C11H15NS
SMILES
CCN1CC(SC2=CC=CC=C21)C
InChI
InChI=1S/C11H15NS/c1-3-12-8-9(2)13-11-7-5-4-6-10(11)12/h4-7,9H,3,8H2,1-2H3
InChIKey
QDJKFDWBUIRDKY-UHFFFAOYSA-N
Compound name
4-ethyl-2-methyl-2,3-dihydro-1,4-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.099786 139.3
[M+Na]+ 216.081728 147.6
[M-H]- 192.085234 142.4
[M+NH4]+ 211.126333 159.7
[M+K]+ 232.055668 144.0
[M+H-H2O]+ 176.089770 133.2
[M+HCOO]- 238.090711 153.9
[M+CH3COO]- 252.106361 152.1
[M+Na-2H]- 214.067176 143.4
[M]+ 193.09196142 139.6
[M]- 193.09305858 139.6
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.