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]+ 381.103406 186.5
[M+Na]+ 403.085348 193.7
[M-H]- 379.088854 193.0
[M+NH4]+ 398.129953 196.6
[M+K]+ 419.059288 187.4
[M+H-H2O]+ 363.093390 177.2
[M+HCOO]- 425.094331 193.7
[M+CH3COO]- 439.109981 212.1
[M+Na-2H]- 401.070796 187.7
[M]+ 380.09558142 188.8
[M]- 380.09667858 188.8
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.