CID 21116609

24032-65-3

Structural Information

Molecular Formula
C19H20ClN3O3S
SMILES
CC(=O)NCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O3S/c1-14(24)21-11-13-27(25,26)18-8-6-17(7-9-18)23-12-10-19(22-23)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)
InChIKey
OLAWASSCAKHGDM-UHFFFAOYSA-N
Compound name
N-[2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0914 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09868 193.4
[M+Na]+ 428.08062 205.8
[M+NH4]+ 423.12522 199.4
[M+K]+ 444.05456 198.9
[M-H]- 404.08412 196.9
[M+Na-2H]- 426.06607 200.7
[M]+ 405.09085 196.8
[M]- 405.09195 196.8
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.