CID 16205699

Brn 4476423

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C/C(=N\OC)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C12H14N2O2S/c1-8(13-16-3)9-4-5-11-10(6-9)14(2)12(15)7-17-11/h4-6H,7H2,1-3H3/b13-8+
InChIKey
NLILGVWDUGMPIM-MDWZMJQESA-N
Compound name
6-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 154.4
[M+Na]+ 273.06682 166.2
[M+NH4]+ 268.11142 162.9
[M+K]+ 289.04076 157.9
[M-H]- 249.07032 157.0
[M+Na-2H]- 271.05227 159.2
[M]+ 250.07705 157.2
[M]- 250.07815 157.2
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.