CID 1122739

Piperazine, 1-((5-chloro-2-methoxyphenyl)sulfonyl)-4-(phenylmethyl)-

Structural Information

Molecular Formula
C18H21ClN2O3S
SMILES
COC1=C(C=C(C=C1)Cl)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C18H21ClN2O3S/c1-24-17-8-7-16(19)13-18(17)25(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3
InChIKey
BSMGGFOLVQBMBH-UHFFFAOYSA-N
Compound name
1-benzyl-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.09613 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.10341 186.3
[M+Na]+ 403.08535 200.7
[M+NH4]+ 398.12995 193.6
[M+K]+ 419.05929 191.0
[M-H]- 379.08885 190.6
[M+Na-2H]- 401.07080 194.7
[M]+ 380.09558 190.4
[M]- 380.09668 190.4
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.