CID 397046

Nsc704328

Structural Information

Molecular Formula
C11H15ClN4O2S2
SMILES
CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S
InChI
InChI=1S/C11H15ClN4O2S2/c1-6-3-10(9(19)4-8(6)12)20(17,18)16-11-13-5-7(2)14-15-11/h3-4,7,14,19H,5H2,1-2H3,(H2,13,15,16)
InChIKey
BWAHRTZIBYHSLE-UHFFFAOYSA-N
Compound name
4-chloro-5-methyl-N-(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)-2-sulfanylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0325 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03978 169.7
[M+Na]+ 357.02172 178.6
[M-H]- 333.02522 169.9
[M+NH4]+ 352.06632 179.9
[M+K]+ 372.99566 169.9
[M+H-H2O]+ 317.02976 163.6
[M+HCOO]- 379.03070 170.4
[M+CH3COO]- 393.04635 201.1
[M+Na-2H]- 355.00717 170.3
[M]+ 334.03195 169.1
[M]- 334.03305 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.