CID 3056199

Piperazine, 1-(4-((1,1'-biphenyl)-4-ylmethyl)-2-thiazolyl)-, hydrochloride, hydrate (2:4:1)

Structural Information

Molecular Formula
C20H21N3S
SMILES
C1CN(CCN1)C2=NC(=CS2)CC3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H21N3S/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-19-15-24-20(22-19)23-12-10-21-11-13-23/h1-9,15,21H,10-14H2
InChIKey
GEQLCTCVWQBSGG-UHFFFAOYSA-N
Compound name
4-[(4-phenylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.14563 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15291 177.7
[M+Na]+ 358.13485 183.9
[M-H]- 334.13835 184.5
[M+NH4]+ 353.17945 188.3
[M+K]+ 374.10879 175.9
[M+H-H2O]+ 318.14289 167.3
[M+HCOO]- 380.14383 189.4
[M+CH3COO]- 394.15948 186.4
[M+Na-2H]- 356.12030 176.9
[M]+ 335.14508 173.2
[M]- 335.14618 173.2
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

patents stripe