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]+ 284.08522 159.2
[M+Na]+ 306.06716 165.6
[M-H]- 282.07066 165.0
[M+NH4]+ 301.11176 174.3
[M+K]+ 322.04110 160.1
[M+H-H2O]+ 266.07520 150.8
[M+HCOO]- 328.07614 176.8
[M+CH3COO]- 342.09179 170.0
[M+Na-2H]- 304.05261 166.1
[M]+ 283.07739 157.8
[M]- 283.07849 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.