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 165.9
[M+Na]+ 312.11410 172.5
[M-H]- 288.11760 170.0
[M+NH4]+ 307.15870 178.9
[M+K]+ 328.08804 167.0
[M+H-H2O]+ 272.12214 156.7
[M+HCOO]- 334.12308 178.0
[M+CH3COO]- 348.13873 175.6
[M+Na-2H]- 310.09955 165.2
[M]+ 289.12433 163.7
[M]- 289.12543 163.7
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.