CID 378499

Nsc661099

Structural Information

Molecular Formula
C13H10ClN3O4S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CO3
InChI
InChI=1S/C13H10ClN3O4S2/c1-7-5-11-10(6-8(7)14)22-13(17-23(11,19)20)16-15-12(18)9-3-2-4-21-9/h2-6H,1H3,(H,15,18)(H,16,17)
InChIKey
CNINHRAQRJLVOU-UHFFFAOYSA-N
Compound name
N'-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.98013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.98741 175.5
[M+Na]+ 393.96935 186.5
[M-H]- 369.97285 183.2
[M+NH4]+ 389.01395 191.4
[M+K]+ 409.94329 181.6
[M+H-H2O]+ 353.97739 171.0
[M+HCOO]- 415.97833 184.7
[M+CH3COO]- 429.99398 186.9
[M+Na-2H]- 391.95480 180.0
[M]+ 370.97958 182.4
[M]- 370.98068 182.4
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.