CID 16205702

91119-73-2

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
CCCCO/N=C(\C)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C15H20N2O2S/c1-4-5-8-19-16-11(2)12-6-7-14-13(9-12)17(3)15(18)10-20-14/h6-7,9H,4-5,8,10H2,1-3H3/b16-11+
InChIKey
RQQUNWDAWQUXCK-LFIBNONCSA-N
Compound name
6-[(E)-N-butoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.12454 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.131816 166.3
[M+Na]+ 315.113758 173.0
[M-H]- 291.117264 170.1
[M+NH4]+ 310.158363 182.7
[M+K]+ 331.087698 169.5
[M+H-H2O]+ 275.121800 158.6
[M+HCOO]- 337.122741 181.6
[M+CH3COO]- 351.138391 207.3
[M+Na-2H]- 313.099206 167.7
[M]+ 292.12399142 170.1
[M]- 292.12508858 170.1
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.