CID 16227456

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

Structural Information

Molecular Formula
C12H15N3S2
SMILES
C1CN(CCN1)CC2=CSC(=N2)C3=CSC=C3
InChI
InChI=1S/C12H15N3S2/c1-6-16-8-10(1)12-14-11(9-17-12)7-15-4-2-13-3-5-15/h1,6,8-9,13H,2-5,7H2
InChIKey
AOVLIYHGIZTVER-UHFFFAOYSA-N
Compound name
4-(piperazin-1-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.07074 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07802 154.7
[M+Na]+ 288.05996 164.4
[M-H]- 264.06346 160.0
[M+NH4]+ 283.10456 171.5
[M+K]+ 304.03390 158.9
[M+H-H2O]+ 248.06800 148.0
[M+HCOO]- 310.06894 165.3
[M+CH3COO]- 324.08459 166.2
[M+Na-2H]- 286.04541 152.3
[M]+ 265.07019 153.8
[M]- 265.07129 153.8
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.