CID 16205699

91119-70-9

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]+ 251.084876 152.9
[M+Na]+ 273.066818 161.0
[M-H]- 249.070324 157.4
[M+NH4]+ 268.111423 171.1
[M+K]+ 289.040758 158.2
[M+H-H2O]+ 233.074860 145.9
[M+HCOO]- 295.075801 169.2
[M+CH3COO]- 309.091451 198.3
[M+Na-2H]- 271.052266 155.9
[M]+ 250.07705142 155.7
[M]- 250.07814858 155.7
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.