CID 24842194

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

Structural Information

Molecular Formula
C18H25N3OS2
SMILES
CC1=C(SC(=N1)SC)CCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C18H25N3OS2/c1-14-17(24-18(19-14)23-3)8-9-20-10-12-21(13-11-20)15-6-4-5-7-16(15)22-2/h4-7H,8-13H2,1-3H3
InChIKey
ISOUEXFFNIALDS-UHFFFAOYSA-N
Compound name
5-[2-[4-(2-methoxyphenyl)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

363.1439 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.15118 182.5
[M+Na]+ 386.13312 190.5
[M-H]- 362.13662 187.9
[M+NH4]+ 381.17772 194.4
[M+K]+ 402.10706 184.0
[M+H-H2O]+ 346.14116 174.0
[M+HCOO]- 408.14210 190.0
[M+CH3COO]- 422.15775 191.6
[M+Na-2H]- 384.11857 177.9
[M]+ 363.14335 185.0
[M]- 363.14445 185.0
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.