CID 452517

129224-97-1

Structural Information

Molecular Formula
C15H20N4S2
SMILES
CN1CCN(CC1)CCSC2=NC=CC(=N2)C3=CC=CS3
InChI
InChI=1S/C15H20N4S2/c1-18-6-8-19(9-7-18)10-12-21-15-16-5-4-13(17-15)14-3-2-11-20-14/h2-5,11H,6-10,12H2,1H3
InChIKey
FISGCOUHCJXNGL-UHFFFAOYSA-N
Compound name
2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]-4-thiophen-2-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11295 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12023 169.3
[M+Na]+ 343.10217 177.6
[M-H]- 319.10567 173.3
[M+NH4]+ 338.14677 181.2
[M+K]+ 359.07611 171.0
[M+H-H2O]+ 303.11021 160.5
[M+HCOO]- 365.11115 176.5
[M+CH3COO]- 379.12680 178.7
[M+Na-2H]- 341.08762 167.0
[M]+ 320.11240 169.1
[M]- 320.11350 169.1
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.