CID 3021518

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

Structural Information

Molecular Formula
C19H27N3OS2
SMILES
CCSC1=NC(=C(S1)CCN2CCN(CC2)C3=CC=CC=C3OC)C
InChI
InChI=1S/C19H27N3OS2/c1-4-24-19-20-15(2)18(25-19)9-10-21-11-13-22(14-12-21)16-7-5-6-8-17(16)23-3/h5-8H,4,9-14H2,1-3H3
InChIKey
PVOJEPIGSZVVNT-UHFFFAOYSA-N
Compound name
2-ethylsulfanyl-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.15955 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.16683 186.5
[M+Na]+ 400.14877 194.0
[M-H]- 376.15227 191.6
[M+NH4]+ 395.19337 197.7
[M+K]+ 416.12271 187.2
[M+H-H2O]+ 360.15681 177.8
[M+HCOO]- 422.15775 193.6
[M+CH3COO]- 436.17340 195.1
[M+Na-2H]- 398.13422 181.4
[M]+ 377.15900 189.2
[M]- 377.16010 189.2
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.