CID 3061287

Brn 4515645

Structural Information

Molecular Formula
C14H11ClN4OS
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=CC=NC=C3
InChI
InChI=1S/C14H11ClN4OS/c15-10-1-2-11-12(7-10)21-8-13(17-11)18-19-14(20)9-3-5-16-6-4-9/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKey
RVLMAXHLKISLRV-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)pyridine-4-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0342 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04148 165.4
[M+Na]+ 341.02342 173.7
[M-H]- 317.02692 170.2
[M+NH4]+ 336.06802 178.9
[M+K]+ 356.99736 167.0
[M+H-H2O]+ 301.03146 157.3
[M+HCOO]- 363.03240 177.4
[M+CH3COO]- 377.04805 175.8
[M+Na-2H]- 339.00887 171.8
[M]+ 318.03365 166.7
[M]- 318.03475 166.7
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.