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]+ 194.09979 139.3
[M+Na]+ 216.08173 147.6
[M-H]- 192.08523 142.4
[M+NH4]+ 211.12633 159.7
[M+K]+ 232.05567 144.0
[M+H-H2O]+ 176.08977 133.2
[M+HCOO]- 238.09071 153.9
[M+CH3COO]- 252.10636 152.1
[M+Na-2H]- 214.06718 143.4
[M]+ 193.09196 139.6
[M]- 193.09306 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.