CID 9588500

109193-32-0

Structural Information

Molecular Formula
C19H19ClN8O3S2
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)/N=C/NN/C=N/NC2=NN=C(S2)C3=CC=CC=C3Cl)NC(=O)C
InChI
InChI=1S/C19H19ClN8O3S2/c1-12-9-14(7-8-17(12)25-13(2)29)33(30,31)24-11-22-21-10-23-27-19-28-26-18(32-19)15-5-3-4-6-16(15)20/h3-11H,1-2H3,(H,21,23)(H,22,24)(H,25,29)(H,27,28)
InChIKey
KKJGKFKLDMLOQD-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[2-[(E)-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazinylidene]methyl]hydrazinyl]methylideneamino]sulfonyl-2-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.071 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.07828 214.3
[M+Na]+ 529.06022 220.4
[M-H]- 505.06372 224.0
[M+NH4]+ 524.10482 220.9
[M+K]+ 545.03416 212.7
[M+H-H2O]+ 489.06826 204.6
[M+HCOO]- 551.06920 228.8
[M+CH3COO]- 565.08485 250.5
[M+Na-2H]- 527.04567 219.6
[M]+ 506.07045 219.5
[M]- 506.07155 219.5
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.