CID 115410781

1-{4-[(1,3-thiazol-4-yl)methoxy]phenyl}piperazine trihydrochloride

Structural Information

Molecular Formula
C14H17N3OS
SMILES
C1CN(CCN1)C2=CC=C(C=C2)OCC3=CSC=N3
InChI
InChI=1S/C14H17N3OS/c1-3-14(18-9-12-10-19-11-16-12)4-2-13(1)17-7-5-15-6-8-17/h1-4,10-11,15H,5-9H2
InChIKey
JBQJSXRMYULWKS-UHFFFAOYSA-N
Compound name
4-[(4-piperazin-1-ylphenoxy)methyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.116496 160.9
[M+Na]+ 298.098438 167.2
[M-H]- 274.101944 164.8
[M+NH4]+ 293.143043 174.2
[M+K]+ 314.072378 161.9
[M+H-H2O]+ 258.106480 151.7
[M+HCOO]- 320.107421 173.4
[M+CH3COO]- 334.123071 170.8
[M+Na-2H]- 296.083886 161.5
[M]+ 275.10867142 158.0
[M]- 275.10976858 158.0
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

No patent data available for this compound.