CID 5479900

Chembl1970569

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
C/C(=C\1/C=NC2=CC=CC=C2S1)/NNC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C17H15N3O2S/c1-11(16-10-18-13-7-3-5-9-15(13)23-16)19-20-17(22)12-6-2-4-8-14(12)21/h2-10,19,21H,1H3,(H,20,22)/b16-11+
InChIKey
XBONPGBHPAUWOL-LFIBNONCSA-N
Compound name
N'-[(1E)-1-(1,4-benzothiazin-2-ylidene)ethyl]-2-hydroxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0885 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 170.9
[M+Na]+ 348.07772 176.3
[M-H]- 324.08122 175.2
[M+NH4]+ 343.12232 183.4
[M+K]+ 364.05166 170.3
[M+H-H2O]+ 308.08576 162.6
[M+HCOO]- 370.08670 185.5
[M+CH3COO]- 384.10235 180.1
[M+Na-2H]- 346.06317 174.9
[M]+ 325.08795 168.9
[M]- 325.08905 168.9
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.