CID 378503

Nsc661103

Structural Information

Molecular Formula
C11H13N5O3S2
SMILES
CN1C(=O)C2=CC3=C(C=C2N1)SC(=NS3(=O)=O)NN(C)C
InChI
InChI=1S/C11H13N5O3S2/c1-15(2)13-11-14-21(18,19)9-4-6-7(5-8(9)20-11)12-16(3)10(6)17/h4-5,12H,1-3H3,(H,13,14)
InChIKey
QOWBVUBPYYINFM-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylhydrazinyl)-7-methyl-1,1-dioxo-6H-pyrazolo[3,4-g][1,4,2]benzodithiazin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.046 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05328 164.3
[M+Na]+ 350.03522 177.3
[M-H]- 326.03872 166.9
[M+NH4]+ 345.07982 181.2
[M+K]+ 366.00916 171.9
[M+H-H2O]+ 310.04326 159.0
[M+HCOO]- 372.04420 176.1
[M+CH3COO]- 386.05985 176.0
[M+Na-2H]- 348.02067 170.3
[M]+ 327.04545 171.0
[M]- 327.04655 171.0
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.