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]+ 222.06957 143.8
[M+Na]+ 244.05151 150.9
[M-H]- 220.05501 146.9
[M+NH4]+ 239.09611 161.9
[M+K]+ 260.02545 147.3
[M+H-H2O]+ 204.05955 136.8
[M+HCOO]- 266.06049 161.5
[M+CH3COO]- 280.07614 189.5
[M+Na-2H]- 242.03696 150.3
[M]+ 221.06174 143.1
[M]- 221.06284 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.