CID 3061284

Brn 4514202

Structural Information

Molecular Formula
C13H10ClN3O2S
SMILES
C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)C3=CC=CO3
InChI
InChI=1S/C13H10ClN3O2S/c14-8-3-4-9-11(6-8)20-7-12(15-9)16-17-13(18)10-2-1-5-19-10/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKey
CMSZAEXHRMMHQZ-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2H-1,4-benzothiazin-3-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.01822 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.02550 165.0
[M+Na]+ 330.00744 177.6
[M+NH4]+ 325.05204 173.8
[M+K]+ 345.98138 170.6
[M-H]- 306.01094 171.0
[M+Na-2H]- 327.99289 171.7
[M]+ 307.01767 169.1
[M]- 307.01877 169.1
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.