CID 3056221

Piperazine, 1-(4-(diphenylmethyl)-2-thiazolyl)-, hydrochloride, hydrate (1:2:1)

Structural Information

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

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15291 176.7
[M+Na]+ 358.13485 191.1
[M+NH4]+ 353.17945 185.7
[M+K]+ 374.10879 182.2
[M-H]- 334.13835 183.8
[M+Na-2H]- 356.12030 187.6
[M]+ 335.14508 181.3
[M]- 335.14618 181.3
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