CID 64543226

2413885-70-6

Structural Information

Molecular Formula
C16H19N3OS
SMILES
CC(=O)C1=CSC(=N1)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N3OS/c1-13(20)15-12-21-16(17-15)19-9-7-18(8-10-19)11-14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3
InChIKey
YXZGGZDPCSRHGT-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12488 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13216 169.3
[M+Na]+ 324.11410 181.9
[M+NH4]+ 319.15870 177.3
[M+K]+ 340.08804 174.6
[M-H]- 300.11760 173.6
[M+Na-2H]- 322.09955 176.8
[M]+ 301.12433 172.7
[M]- 301.12543 172.7
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.