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 194.6
[M+Na]+ 428.08062 202.6
[M-H]- 404.08412 202.3
[M+NH4]+ 423.12522 205.5
[M+K]+ 444.05456 195.9
[M+H-H2O]+ 388.08866 186.1
[M+HCOO]- 450.08960 205.5
[M+CH3COO]- 464.10525 218.5
[M+Na-2H]- 426.06607 194.4
[M]+ 405.09085 199.1
[M]- 405.09195 199.1
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.