CID 3061272

78959-11-2

Structural Information

Molecular Formula
C15H11Cl2N3OS
SMILES
C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3OS/c16-9-5-6-10(11(17)7-9)15(21)20-19-14-8-22-13-4-2-1-3-12(13)18-14/h1-7H,8H2,(H,18,19)(H,20,21)
InChIKey
PKGSXRABBCGJEN-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzothiazin-3-yl)-2,4-dichlorobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.00728 171.9
[M+Na]+ 373.98922 180.9
[M-H]- 349.99272 177.6
[M+NH4]+ 369.03382 186.2
[M+K]+ 389.96316 173.5
[M+H-H2O]+ 333.99726 165.6
[M+HCOO]- 395.99820 179.9
[M+CH3COO]- 410.01385 182.2
[M+Na-2H]- 371.97467 176.2
[M]+ 350.99945 175.0
[M]- 351.00055 175.0
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.