CID 9570865

2h-1,4-benzothiazin-3(4h)-one, 4-methyl-6-(1-((2-propynyloxy)imino)ethyl)-

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CN1C(=O)CSC2=C1C=C(C=C2)C/C=N/OCC#C
InChI
InChI=1S/C14H14N2O2S/c1-3-8-18-15-7-6-11-4-5-13-12(9-11)16(2)14(17)10-19-13/h1,4-5,7,9H,6,8,10H2,2H3/b15-7+
InChIKey
NGBGJCJDPVCAHJ-VIZOYTHASA-N
Compound name
4-methyl-6-[(2E)-2-prop-2-ynoxyiminoethyl]-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.084876 162.4
[M+Na]+ 297.066818 172.8
[M-H]- 273.070324 165.2
[M+NH4]+ 292.111423 177.7
[M+K]+ 313.040758 167.1
[M+H-H2O]+ 257.074860 149.4
[M+HCOO]- 319.075801 173.9
[M+CH3COO]- 333.091451 207.8
[M+Na-2H]- 295.052266 164.4
[M]+ 274.07705142 160.1
[M]- 274.07814858 160.1
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.