CID 91067

1-(3-(p-chlorophenyl)-3-phenylpropyl)-4-(2-thiazolyl)piperazine maleate

Structural Information

Molecular Formula
C22H24ClN3S
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=NC=CS4
InChI
InChI=1S/C22H24ClN3S/c23-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)10-12-25-13-15-26(16-14-25)22-24-11-17-27-22/h1-9,11,17,21H,10,12-16H2
InChIKey
FSYGAKJMEGBMGC-UHFFFAOYSA-N
Compound name
2-[4-[3-(4-chlorophenyl)-3-phenylpropyl]piperazin-1-yl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.13794 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.14522 193.1
[M+Na]+ 420.12716 198.7
[M-H]- 396.13066 200.6
[M+NH4]+ 415.17176 202.5
[M+K]+ 436.10110 190.6
[M+H-H2O]+ 380.13520 181.9
[M+HCOO]- 442.13614 199.6
[M+CH3COO]- 456.15179 200.8
[M+Na-2H]- 418.11261 190.0
[M]+ 397.13739 192.4
[M]- 397.13849 192.4
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.