CID 25123144

1391052-52-0

Structural Information

Molecular Formula
C23H23ClN2O2S
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23ClN2O2S/c24-21-13-11-20(12-14-21)23(19-7-3-1-4-8-19)25-15-17-26(18-16-25)29(27,28)22-9-5-2-6-10-22/h1-14,23H,15-18H2
InChIKey
SPJJNZAAMVPVFV-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-[(4-chlorophenyl)-phenylmethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

426.11688 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.12416 198.6
[M+Na]+ 449.10610 204.0
[M-H]- 425.10960 207.2
[M+NH4]+ 444.15070 205.8
[M+K]+ 465.08004 196.2
[M+H-H2O]+ 409.11414 187.6
[M+HCOO]- 471.11508 204.3
[M+CH3COO]- 485.13073 206.0
[M+Na-2H]- 447.09155 199.5
[M]+ 426.11633 197.7
[M]- 426.11743 197.7
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