CID 163444

85154-08-1

Structural Information

Molecular Formula
C20H24ClN3O2S
SMILES
CC(CS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl)N(C)C
InChI
InChI=1S/C20H24ClN3O2S/c1-15(23(2)3)14-27(25,26)19-10-8-18(9-11-19)24-13-12-20(22-24)16-4-6-17(21)7-5-16/h4-11,15H,12-14H2,1-3H3
InChIKey
YTUDQPCUGVTOBD-UHFFFAOYSA-N
Compound name
1-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonyl-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

405.12778 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13506 194.4
[M+Na]+ 428.11700 207.3
[M+NH4]+ 423.16160 201.4
[M+K]+ 444.09094 200.3
[M-H]- 404.12050 199.0
[M+Na-2H]- 426.10245 202.4
[M]+ 405.12723 198.3
[M]- 405.12833 198.3
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

patents stripe