CID 3642303

763107-10-4

Structural Information

Molecular Formula
C25H25Cl2N3OS
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)SCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4
InChI
InChI=1S/C25H25Cl2N3OS/c26-20-7-6-19(24(27)16-20)18-32-23-10-8-21(9-11-23)28-25(31)17-29-12-14-30(15-13-29)22-4-2-1-3-5-22/h1-11,16H,12-15,17-18H2,(H,28,31)
InChIKey
DTFIIHMVVKUTNL-UHFFFAOYSA-N
Compound name
N-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.10953 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.11681 210.6
[M+Na]+ 508.09875 215.8
[M-H]- 484.10225 218.3
[M+NH4]+ 503.14335 216.3
[M+K]+ 524.07269 206.5
[M+H-H2O]+ 468.10679 199.5
[M+HCOO]- 530.10773 212.9
[M+CH3COO]- 544.12338 216.6
[M+Na-2H]- 506.08420 208.5
[M]+ 485.10898 211.8
[M]- 485.11008 211.8
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.