CID 91034

23904-97-4

Structural Information

Molecular Formula
C24H28ClN3OS
SMILES
C1CN(CCN1CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CS4
InChI
InChI=1S/C24H28ClN3OS/c25-22-10-8-21(9-11-22)23(20-6-2-1-3-7-20)29-18-5-4-13-27-14-16-28(17-15-27)24-26-12-19-30-24/h1-3,6-12,19,23H,4-5,13-18H2
InChIKey
IYLFDARYHHAJTH-UHFFFAOYSA-N
Compound name
2-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazin-1-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.16415 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.17143 204.0
[M+Na]+ 464.15337 208.5
[M-H]- 440.15687 211.2
[M+NH4]+ 459.19797 211.5
[M+K]+ 480.12731 200.6
[M+H-H2O]+ 424.16141 192.3
[M+HCOO]- 486.16235 210.1
[M+CH3COO]- 500.17800 210.7
[M+Na-2H]- 462.13882 200.2
[M]+ 441.16360 205.2
[M]- 441.16470 205.2
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.