CID 378493

Nsc661093

Structural Information

Molecular Formula
C10H12ClN3O2S2
SMILES
CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NN(C)C
InChI
InChI=1S/C10H12ClN3O2S2/c1-6-4-9-8(5-7(6)11)17-10(12-14(2)3)13-18(9,15)16/h4-5H,1-3H3,(H,12,13)
InChIKey
YYWIOLYKBZKQCH-UHFFFAOYSA-N
Compound name
2-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)-1,1-dimethylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.00595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.01323 155.9
[M+Na]+ 327.99517 166.5
[M-H]- 303.99867 160.7
[M+NH4]+ 323.03977 174.7
[M+K]+ 343.96911 161.4
[M+H-H2O]+ 288.00321 151.3
[M+HCOO]- 350.00415 164.7
[M+CH3COO]- 364.01980 206.0
[M+Na-2H]- 325.98062 160.8
[M]+ 305.00540 162.1
[M]- 305.00650 162.1
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.