CID 5466734

Nsc641870

Structural Information

Molecular Formula
C17H16Cl3N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(/C)\CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C17H16Cl3N3O3S/c1-10-3-5-12(6-4-10)27(25,26)23-22-11(2)7-17(24)21-16-9-14(19)13(18)8-15(16)20/h3-6,8-9,23H,7H2,1-2H3,(H,21,24)/b22-11-
InChIKey
MGWVZTGJGGIEGJ-JJFYIABZSA-N
Compound name
(3Z)-3-[(4-methylphenyl)sulfonylhydrazinylidene]-N-(2,4,5-trichlorophenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.9978 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.00508 197.7
[M+Na]+ 469.98702 205.4
[M-H]- 445.99052 204.6
[M+NH4]+ 465.03162 208.9
[M+K]+ 485.96096 198.8
[M+H-H2O]+ 429.99506 192.4
[M+HCOO]- 491.99600 203.2
[M+CH3COO]- 506.01165 232.3
[M+Na-2H]- 467.97247 197.5
[M]+ 446.99725 204.6
[M]- 446.99835 204.6
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.