CID 985373

324067-21-2

Structural Information

Molecular Formula
C17H19ClN2O2S
SMILES
C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2O2S/c18-16-6-8-17(9-7-16)23(21,22)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKey
CJZZSVCCBZWMCS-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-chlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

350.08557 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09285 179.1
[M+Na]+ 373.07479 186.2
[M-H]- 349.07829 185.4
[M+NH4]+ 368.11939 190.3
[M+K]+ 389.04873 179.4
[M+H-H2O]+ 333.08283 169.9
[M+HCOO]- 395.08377 186.5
[M+CH3COO]- 409.09942 188.4
[M+Na-2H]- 371.06024 181.2
[M]+ 350.08502 179.2
[M]- 350.08612 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe