CID 3061278

Brn 4504509

Structural Information

Molecular Formula
C15H12ClN3OS
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12ClN3OS/c16-11-6-7-12-13(8-11)21-9-14(17-12)18-19-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
JTCQVCBJOVRXHA-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.03897 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.046246 166.0
[M+Na]+ 340.028188 173.9
[M-H]- 316.031694 172.1
[M+NH4]+ 335.072793 181.0
[M+K]+ 356.002128 167.2
[M+H-H2O]+ 300.036230 158.7
[M+HCOO]- 362.037171 179.1
[M+CH3COO]- 376.052821 176.8
[M+Na-2H]- 338.013636 171.8
[M]+ 317.03842142 167.3
[M]- 317.03951858 167.3
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.