CID 3061277

Brn 4453411

Structural Information

Molecular Formula
C10H10ClN3OS
SMILES
CC(=O)NNC1=NC2=C(C=C(C=C2)Cl)SC1
InChI
InChI=1S/C10H10ClN3OS/c1-6(15)13-14-10-5-16-9-4-7(11)2-3-8(9)12-10/h2-4H,5H2,1H3,(H,12,14)(H,13,15)
InChIKey
ZPHKFBJKKQMOHC-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.02332 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.03060 150.3
[M+Na]+ 278.01254 158.8
[M-H]- 254.01604 153.6
[M+NH4]+ 273.05714 168.2
[M+K]+ 293.98648 153.7
[M+H-H2O]+ 238.02058 144.5
[M+HCOO]- 300.02152 163.3
[M+CH3COO]- 314.03717 194.4
[M+Na-2H]- 275.99799 155.6
[M]+ 255.02277 152.0
[M]- 255.02387 152.0
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.