CID 3021514

Piperazine, 1-methyl-4-(2-(4-methyl-2-(methylthio)-5-thiazolyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C12H21N3S2
SMILES
CC1=C(SC(=N1)SC)CCN2CCN(CC2)C
InChI
InChI=1S/C12H21N3S2/c1-10-11(17-12(13-10)16-3)4-5-15-8-6-14(2)7-9-15/h4-9H2,1-3H3
InChIKey
KGQFIPUXSCZNRQ-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.11768 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12496 159.1
[M+Na]+ 294.10690 167.6
[M-H]- 270.11040 161.6
[M+NH4]+ 289.15150 174.9
[M+K]+ 310.08084 162.7
[M+H-H2O]+ 254.11494 151.9
[M+HCOO]- 316.11588 166.6
[M+CH3COO]- 330.13153 169.6
[M+Na-2H]- 292.09235 155.1
[M]+ 271.11713 160.3
[M]- 271.11823 160.3
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.