CID 2816667

Benzoic acid, 2-(2h-1,4-benzothiazin-3-yl)hydrazide

Structural Information

Molecular Formula
C15H13N3OS
SMILES
C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3OS/c19-15(11-6-2-1-3-7-11)18-17-14-10-20-13-9-5-4-8-12(13)16-14/h1-9H,10H2,(H,16,17)(H,18,19)
InChIKey
WYBHJMZCWKPZLE-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzothiazin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.07794 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.085216 159.2
[M+Na]+ 306.067158 165.6
[M-H]- 282.070664 165.0
[M+NH4]+ 301.111763 174.3
[M+K]+ 322.041098 160.1
[M+H-H2O]+ 266.075200 150.8
[M+HCOO]- 328.076141 176.8
[M+CH3COO]- 342.091791 170.0
[M+Na-2H]- 304.052606 166.1
[M]+ 283.07739142 157.8
[M]- 283.07848858 157.8
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.