CID 28819318

1-{[5-(3-chlorophenyl)thiophen-2-yl]methyl}piperazine

Structural Information

Molecular Formula
C15H17ClN2S
SMILES
C1CN(CCN1)CC2=CC=C(S2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H17ClN2S/c16-13-3-1-2-12(10-13)15-5-4-14(19-15)11-18-8-6-17-7-9-18/h1-5,10,17H,6-9,11H2
InChIKey
JMNSXJQIUKUOHW-UHFFFAOYSA-N
Compound name
1-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0801 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.08738 165.4
[M+Na]+ 315.06932 172.8
[M-H]- 291.07282 170.7
[M+NH4]+ 310.11392 180.6
[M+K]+ 331.04326 165.5
[M+H-H2O]+ 275.07736 157.5
[M+HCOO]- 337.07830 173.9
[M+CH3COO]- 351.09395 175.6
[M+Na-2H]- 313.05477 164.2
[M]+ 292.07955 163.3
[M]- 292.08065 163.3
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.