CID 3061335

Brn 4446586

Structural Information

Molecular Formula
C10H11N3OS
SMILES
CC(=O)NNC1=NC2=CC=CC=C2SC1
InChI
InChI=1S/C10H11N3OS/c1-7(14)12-13-10-6-15-9-5-3-2-4-8(9)11-10/h2-5H,6H2,1H3,(H,11,13)(H,12,14)
InChIKey
DOOIQFCUDWWTKB-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzothiazin-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.069566 143.8
[M+Na]+ 244.051508 150.9
[M-H]- 220.055014 146.9
[M+NH4]+ 239.096113 161.9
[M+K]+ 260.025448 147.3
[M+H-H2O]+ 204.059550 136.8
[M+HCOO]- 266.060491 161.5
[M+CH3COO]- 280.076141 189.5
[M+Na-2H]- 242.036956 150.3
[M]+ 221.06174142 143.1
[M]- 221.06283858 143.1
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.