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 186.5
[M+Na]+ 403.08535 193.7
[M-H]- 379.08885 193.0
[M+NH4]+ 398.12995 196.6
[M+K]+ 419.05929 187.4
[M+H-H2O]+ 363.09339 177.2
[M+HCOO]- 425.09433 193.7
[M+CH3COO]- 439.10998 212.1
[M+Na-2H]- 401.07080 187.7
[M]+ 380.09558 188.8
[M]- 380.09668 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.