CID 198551

73553-70-5

Structural Information

Molecular Formula
C20H21N3OS
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C20H21N3OS/c1-2-4-18(5-3-1)24-19-8-6-16(7-9-19)14-17-15-25-20(22-17)23-12-10-21-11-13-23/h1-9,15,21H,10-14H2
InChIKey
GOPIGKGXGOCRFO-UHFFFAOYSA-N
Compound name
4-[(4-phenoxyphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

351.14053 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.147806 180.9
[M+Na]+ 374.129748 186.7
[M-H]- 350.133254 187.7
[M+NH4]+ 369.174353 190.7
[M+K]+ 390.103688 179.4
[M+H-H2O]+ 334.137790 170.3
[M+HCOO]- 396.138731 192.7
[M+CH3COO]- 410.154381 189.4
[M+Na-2H]- 372.115196 180.3
[M]+ 351.13998142 177.7
[M]- 351.14107858 177.7
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