CID 3047313

63223-54-1

Structural Information

Molecular Formula
C15H13NO3S
SMILES
COC1=C(C=C(C=C1)C2NC(=O)C3=CC=CC=C3S2)O
InChI
InChI=1S/C15H13NO3S/c1-19-12-7-6-9(8-11(12)17)15-16-14(18)10-4-2-3-5-13(10)20-15/h2-8,15,17H,1H3,(H,16,18)
InChIKey
BFJLRTKPKJMBSV-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,3-benzothiazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

287.0616 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06888 161.5
[M+Na]+ 310.05082 170.0
[M-H]- 286.05432 165.3
[M+NH4]+ 305.09542 176.2
[M+K]+ 326.02476 164.1
[M+H-H2O]+ 270.05886 154.3
[M+HCOO]- 332.05980 174.0
[M+CH3COO]- 346.07545 172.2
[M+Na-2H]- 308.03627 164.3
[M]+ 287.06105 161.3
[M]- 287.06215 161.3
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

patents stripe