CID 3063268

Brn 0191648

Structural Information

Molecular Formula
C12H18N2OS
SMILES
CN1CCN(CC1)CCC(=O)C2=CC=CS2
InChI
InChI=1S/C12H18N2OS/c1-13-6-8-14(9-7-13)5-4-11(15)12-3-2-10-16-12/h2-3,10H,4-9H2,1H3
InChIKey
UJFUMSCHEBXVMI-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11398 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12126 155.0
[M+Na]+ 261.10320 160.9
[M-H]- 237.10670 158.4
[M+NH4]+ 256.14780 172.2
[M+K]+ 277.07714 157.9
[M+H-H2O]+ 221.11124 147.2
[M+HCOO]- 283.11218 168.4
[M+CH3COO]- 297.12783 189.2
[M+Na-2H]- 259.08865 153.4
[M]+ 238.11343 153.9
[M]- 238.11453 153.9
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.