CID 3061273

Brn 4502146

Structural Information

Molecular Formula
C14H12N4OS
SMILES
C1C(=NC2=CC=CC=C2S1)NNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C14H12N4OS/c19-14(10-4-3-7-15-8-10)18-17-13-9-20-12-6-2-1-5-11(12)16-13/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
JKWGUNYIVFULBX-UHFFFAOYSA-N
Compound name
N'-(2H-1,4-benzothiazin-3-yl)pyridine-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07318 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08046 158.8
[M+Na]+ 307.06240 165.8
[M-H]- 283.06590 163.4
[M+NH4]+ 302.10700 172.6
[M+K]+ 323.03634 160.3
[M+H-H2O]+ 267.07044 149.9
[M+HCOO]- 329.07138 175.6
[M+CH3COO]- 343.08703 169.4
[M+Na-2H]- 305.04785 166.5
[M]+ 284.07263 157.6
[M]- 284.07373 157.6
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.