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]+ 290.132156 165.9
[M+Na]+ 312.114098 172.5
[M-H]- 288.117604 170.0
[M+NH4]+ 307.158703 178.9
[M+K]+ 328.088038 167.0
[M+H-H2O]+ 272.122140 156.7
[M+HCOO]- 334.123081 178.0
[M+CH3COO]- 348.138731 175.6
[M+Na-2H]- 310.099546 165.2
[M]+ 289.12433142 163.7
[M]- 289.12542858 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.