CID 710430

1-[(4-chlorophenyl)sulfonyl]-4-phenylpiperazine

Structural Information

Molecular Formula
C16H17ClN2O2S
SMILES
C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H17ClN2O2S/c17-14-6-8-16(9-7-14)22(20,21)19-12-10-18(11-13-19)15-4-2-1-3-5-15/h1-9H,10-13H2
InChIKey
MEHQMPINKUDSDE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)sulfonyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

336.06992 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.07720 174.8
[M+Na]+ 359.05914 182.4
[M-H]- 335.06264 181.3
[M+NH4]+ 354.10374 186.6
[M+K]+ 375.03308 175.8
[M+H-H2O]+ 319.06718 165.9
[M+HCOO]- 381.06812 182.6
[M+CH3COO]- 395.08377 184.5
[M+Na-2H]- 357.04459 177.5
[M]+ 336.06937 174.7
[M]- 336.07047 174.7
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