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]+ 276.11650 160.9
[M+Na]+ 298.09844 167.2
[M-H]- 274.10194 164.8
[M+NH4]+ 293.14304 174.2
[M+K]+ 314.07238 161.9
[M+H-H2O]+ 258.10648 151.7
[M+HCOO]- 320.10742 173.4
[M+CH3COO]- 334.12307 170.8
[M+Na-2H]- 296.08389 161.5
[M]+ 275.10867 158.0
[M]- 275.10977 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.