CID 62757600

1478125-58-4

Structural Information

Molecular Formula
C16H19N3OS
SMILES
CC(=O)C1=CN=C(S1)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C16H19N3OS/c1-13(20)15-11-17-16(21-15)19-9-7-18(8-10-19)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3
InChIKey
QGGITSLWJYVVBM-UHFFFAOYSA-N
Compound name
1-[2-(4-benzylpiperazin-1-yl)-1,3-thiazol-5-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 170.1
[M+Na]+ 324.11410 176.6
[M-H]- 300.11760 175.5
[M+NH4]+ 319.15870 183.1
[M+K]+ 340.08804 171.6
[M+H-H2O]+ 284.12214 160.5
[M+HCOO]- 346.12308 182.4
[M+CH3COO]- 360.13873 179.9
[M+Na-2H]- 322.09955 168.2
[M]+ 301.12433 168.7
[M]- 301.12543 168.7
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.