CID 24842046

1-(4-chlorophenyl)-4-(2-(4-methyl-2-(methylthio)-5-thiazolyl)ethyl)piperazine 3hcl dihydrate

Structural Information

Molecular Formula
C17H22ClN3S2
SMILES
CC1=C(SC(=N1)SC)CCN2CCN(CC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H22ClN3S2/c1-13-16(23-17(19-13)22-2)7-8-20-9-11-21(12-10-20)15-5-3-14(18)4-6-15/h3-6H,7-12H2,1-2H3
InChIKey
NCLBJBGKORZTAO-UHFFFAOYSA-N
Compound name
5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-methyl-2-methylsulfanyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.09436 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.10164 181.2
[M+Na]+ 390.08358 190.3
[M-H]- 366.08708 186.7
[M+NH4]+ 385.12818 193.8
[M+K]+ 406.05752 182.4
[M+H-H2O]+ 350.09162 173.3
[M+HCOO]- 412.09256 184.1
[M+CH3COO]- 426.10821 190.4
[M+Na-2H]- 388.06903 176.3
[M]+ 367.09381 183.7
[M]- 367.09491 183.7
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.