CID 3056223

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

Structural Information

Molecular Formula
C15H19N3S
SMILES
C1CN(CCN1)C2=NC(=CS2)CCC3=CC=CC=C3
InChI
InChI=1S/C15H19N3S/c1-2-4-13(5-3-1)6-7-14-12-19-15(17-14)18-10-8-16-9-11-18/h1-5,12,16H,6-11H2
InChIKey
VBAZVQOHNPHEPH-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.12997 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 161.9
[M+Na]+ 296.11919 167.9
[M-H]- 272.12269 165.6
[M+NH4]+ 291.16379 175.4
[M+K]+ 312.09313 161.9
[M+H-H2O]+ 256.12723 152.6
[M+HCOO]- 318.12817 173.8
[M+CH3COO]- 332.14382 171.5
[M+Na-2H]- 294.10464 161.9
[M]+ 273.12942 157.9
[M]- 273.13052 157.9
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