CID 3061275

Brn 4510119

Structural Information

Molecular Formula
C13H11N3O2S
SMILES
C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CC=CO3
InChI
InChI=1S/C13H11N3O2S/c17-13(10-5-3-7-18-10)16-15-12-8-19-11-6-2-1-4-9(11)14-12/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKey
HFYCYNSRUXOCMI-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzothiazin-3-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0572 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06448 156.7
[M+Na]+ 296.04642 164.2
[M-H]- 272.04992 164.0
[M+NH4]+ 291.09102 173.0
[M+K]+ 312.02036 161.2
[M+H-H2O]+ 256.05446 149.4
[M+HCOO]- 318.05540 175.4
[M+CH3COO]- 332.07105 168.7
[M+Na-2H]- 294.03187 162.5
[M]+ 273.05665 157.7
[M]- 273.05775 157.7
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.