CID 16205706

Brn 4502107

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC)/C
InChI
InChI=1S/C14H18N2O2S/c1-4-16-12-8-11(10(3)15-18-5-2)6-7-13(12)19-9-14(16)17/h6-8H,4-5,9H2,1-3H3/b15-10+
InChIKey
VFXRUSYVURTEHU-XNTDXEJSSA-N
Compound name
6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-ethyl-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 163.1
[M+Na]+ 301.09812 174.5
[M+NH4]+ 296.14272 171.2
[M+K]+ 317.07206 165.7
[M-H]- 277.10162 165.6
[M+Na-2H]- 299.08357 167.4
[M]+ 278.10835 165.8
[M]- 278.10945 165.8
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.