CID 9570865

Brn 4496107

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]+ 275.08488 162.4
[M+Na]+ 297.06682 172.8
[M-H]- 273.07032 165.2
[M+NH4]+ 292.11142 177.7
[M+K]+ 313.04076 167.1
[M+H-H2O]+ 257.07486 149.4
[M+HCOO]- 319.07580 173.9
[M+CH3COO]- 333.09145 207.8
[M+Na-2H]- 295.05227 164.4
[M]+ 274.07705 160.1
[M]- 274.07815 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.