CID 115410781

2460757-53-1

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 161.4
[M+Na]+ 298.09844 173.9
[M+NH4]+ 293.14304 169.7
[M+K]+ 314.07238 166.3
[M-H]- 274.10194 165.6
[M+Na-2H]- 296.08389 169.4
[M]+ 275.10867 164.7
[M]- 275.10977 164.7
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

No patent data available for this compound.