CID 3021516

Piperazine, 1-(2-(2-(ethylthio)-4-methyl-5-thiazolyl)ethyl)-4-methyl-, trihydrochloride

Structural Information

Molecular Formula
C13H23N3S2
SMILES
CCSC1=NC(=C(S1)CCN2CCN(CC2)C)C
InChI
InChI=1S/C13H23N3S2/c1-4-17-13-14-11(2)12(18-13)5-6-16-9-7-15(3)8-10-16/h4-10H2,1-3H3
InChIKey
YAPQEHXWANUMHG-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-4-methyl-5-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.13333 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14061 163.1
[M+Na]+ 308.12255 171.1
[M-H]- 284.12605 165.4
[M+NH4]+ 303.16715 178.4
[M+K]+ 324.09649 166.1
[M+H-H2O]+ 268.13059 155.7
[M+HCOO]- 330.13153 170.3
[M+CH3COO]- 344.14718 199.7
[M+Na-2H]- 306.10800 158.7
[M]+ 285.13278 164.6
[M]- 285.13388 164.6
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.