CID 3258169

Dtxsid001037963

Structural Information

Molecular Formula
C23H26Cl3N5OS
SMILES
CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C3CCCC3)C
InChI
InChI=1S/C23H26Cl3N5OS/c1-14-7-3-6-10-19(14)31-30-17-11-12-18(15(2)13-17)27-22(33)29-21(23(24,25)26)28-20(32)16-8-4-5-9-16/h3,6-7,10-13,16,21H,4-5,8-9H2,1-2H3,(H,28,32)(H2,27,29,33)
InChIKey
CSOFNBXBYDLHKF-UHFFFAOYSA-N
Compound name
N-[2,2,2-trichloro-1-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]carbamothioylamino]ethyl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.09235 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.09963 225.9
[M+Na]+ 548.08157 234.0
[M+NH4]+ 543.12617 232.0
[M+K]+ 564.05551 225.8
[M-H]- 524.08507 231.9
[M+Na-2H]- 546.06702 231.8
[M]+ 525.09180 229.6
[M]- 525.09290 229.6
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.