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 208.6
[M+Na]+ 515.04458 214.5
[M-H]- 491.04808 218.1
[M+NH4]+ 510.08918 215.5
[M+K]+ 531.01852 206.9
[M+H-H2O]+ 475.05262 198.8
[M+HCOO]- 537.05356 223.5
[M+CH3COO]- 551.06921 246.4
[M+Na-2H]- 513.03003 215.0
[M]+ 492.05481 213.1
[M]- 492.05591 213.1
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.