CID 3057934

Piperazine, 1-(3-((5-(2-chloroethyl)-4-methyl-2-thiazolyl)thio)propyl)-4-methyl-, trihydrochloride

Structural Information

Molecular Formula
C14H24ClN3S2
SMILES
CC1=C(SC(=N1)SCCCN2CCN(CC2)C)CCCl
InChI
InChI=1S/C14H24ClN3S2/c1-12-13(4-5-15)20-14(16-12)19-11-3-6-18-9-7-17(2)8-10-18/h3-11H2,1-2H3
InChIKey
NITRAQOFCLZYFQ-UHFFFAOYSA-N
Compound name
5-(2-chloroethyl)-4-methyl-2-[3-(4-methylpiperazin-1-yl)propylsulfanyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11002 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11730 173.1
[M+Na]+ 356.09924 180.9
[M-H]- 332.10274 175.2
[M+NH4]+ 351.14384 187.2
[M+K]+ 372.07318 174.5
[M+H-H2O]+ 316.10728 165.9
[M+HCOO]- 378.10822 175.3
[M+CH3COO]- 392.12387 206.1
[M+Na-2H]- 354.08469 167.8
[M]+ 333.10947 176.4
[M]- 333.11057 176.4
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.