CID 3056219

1-(4-(1-phenylethyl)-2-thiazolyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C15H19N3S
SMILES
CC(C1=CC=CC=C1)C2=CSC(=N2)N3CCNCC3
InChI
InChI=1S/C15H19N3S/c1-12(13-5-3-2-4-6-13)14-11-19-15(17-14)18-9-7-16-8-10-18/h2-6,11-12,16H,7-10H2,1H3
InChIKey
RKVJZLIRRSQBLF-UHFFFAOYSA-N
Compound name
4-(1-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 162.3
[M+Na]+ 296.11919 167.9
[M-H]- 272.12269 166.1
[M+NH4]+ 291.16379 175.7
[M+K]+ 312.09313 162.4
[M+H-H2O]+ 256.12723 153.1
[M+HCOO]- 318.12817 173.1
[M+CH3COO]- 332.14382 171.7
[M+Na-2H]- 294.10464 161.3
[M]+ 273.12942 157.7
[M]- 273.13052 157.7
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