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
1
Annotation Hits

0
References

3
Patents

351.14053 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.14781 180.9
[M+Na]+ 374.12975 186.7
[M-H]- 350.13325 187.7
[M+NH4]+ 369.17435 190.7
[M+K]+ 390.10369 179.4
[M+H-H2O]+ 334.13779 170.3
[M+HCOO]- 396.13873 192.7
[M+CH3COO]- 410.15438 189.4
[M+Na-2H]- 372.11520 180.3
[M]+ 351.13998 177.7
[M]- 351.14108 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