CID 368223

Nsc638674

Structural Information

Molecular Formula
C11H13NOS
SMILES
CC(C)C1NC(=O)C2=CC=CC=C2S1
InChI
InChI=1S/C11H13NOS/c1-7(2)11-12-10(13)8-5-3-4-6-9(8)14-11/h3-7,11H,1-2H3,(H,12,13)
InChIKey
LXXJKWLHESOVFC-UHFFFAOYSA-N
Compound name
2-propan-2-yl-2,3-dihydro-1,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07908 142.5
[M+Na]+ 230.06102 150.1
[M-H]- 206.06452 144.2
[M+NH4]+ 225.10562 161.3
[M+K]+ 246.03496 145.9
[M+H-H2O]+ 190.06906 136.7
[M+HCOO]- 252.07000 154.9
[M+CH3COO]- 266.08565 183.6
[M+Na-2H]- 228.04647 145.2
[M]+ 207.07125 141.0
[M]- 207.07235 141.0
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.