CID 16227551

1-{[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl}piperazine hydrochloride

Structural Information

Molecular Formula
C15H19N3OS
SMILES
COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCNCC3
InChI
InChI=1S/C15H19N3OS/c1-19-14-4-2-12(3-5-14)15-17-13(11-20-15)10-18-8-6-16-7-9-18/h2-5,11,16H,6-10H2,1H3
InChIKey
MYZADMABZHURQK-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.12488 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13216 166.2
[M+Na]+ 312.11410 178.7
[M+NH4]+ 307.15870 174.3
[M+K]+ 328.08804 171.2
[M-H]- 288.11760 170.4
[M+Na-2H]- 310.09955 173.6
[M]+ 289.12433 169.5
[M]- 289.12543 169.5
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.