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 165.1
[M+Na]+ 330.00744 174.0
[M-H]- 306.01094 172.6
[M+NH4]+ 325.05204 181.2
[M+K]+ 345.98138 169.6
[M+H-H2O]+ 290.01548 158.7
[M+HCOO]- 352.01642 179.1
[M+CH3COO]- 366.03207 176.9
[M+Na-2H]- 327.99289 169.5
[M]+ 307.01767 168.6
[M]- 307.01877 168.6
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.