CID 9588514

109225-37-8

Structural Information

Molecular Formula
C18H17ClN8O3S2
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)/N=C/NN/C=N/NC2=NN=C(S2)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H17ClN8O3S2/c1-12(28)24-13-6-8-14(9-7-13)32(29,30)23-11-21-20-10-22-26-18-27-25-17(31-18)15-4-2-3-5-16(15)19/h2-11H,1H3,(H,20,22)(H,21,23)(H,24,28)(H,26,27)
InChIKey
VJDRDVMPVRGMIP-UHFFFAOYSA-N
Compound name
N-[4-[(E)-[2-[(E)-[[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazinylidene]methyl]hydrazinyl]methylideneamino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.05536 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.06264 205.5
[M+Na]+ 515.04458 212.8
[M+NH4]+ 510.08918 209.4
[M+K]+ 531.01852 205.9
[M-H]- 491.04808 210.8
[M+Na-2H]- 513.03003 213.5
[M]+ 492.05481 208.5
[M]- 492.05591 208.5
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.