CID 16205708

Brn 4512997

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC=C)/C
InChI
InChI=1S/C15H18N2O2S/c1-4-8-19-16-11(3)12-6-7-14-13(9-12)17(5-2)15(18)10-20-14/h4,6-7,9H,1,5,8,10H2,2-3H3/b16-11+
InChIKey
QGBCZJDIHLLVPD-LFIBNONCSA-N
Compound name
4-ethyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1089 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 165.2
[M+Na]+ 313.09812 172.2
[M-H]- 289.10162 169.1
[M+NH4]+ 308.14272 181.6
[M+K]+ 329.07206 168.1
[M+H-H2O]+ 273.10616 157.7
[M+HCOO]- 335.10710 180.7
[M+CH3COO]- 349.12275 206.5
[M+Na-2H]- 311.08357 166.7
[M]+ 290.10835 168.3
[M]- 290.10945 168.3
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.