CID 3021503

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

Structural Information

Molecular Formula
C17H23N3OS
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC=CC=C3OC
InChI
InChI=1S/C17H23N3OS/c1-14-17(22-13-18-14)7-8-19-9-11-20(12-10-19)15-5-3-4-6-16(15)21-2/h3-6,13H,7-12H2,1-2H3
InChIKey
URGHPTPTMATLBV-UHFFFAOYSA-N
Compound name
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

2
Patents

317.1562 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.163476 175.0
[M+Na]+ 340.145418 182.1
[M-H]- 316.148924 180.5
[M+NH4]+ 335.190023 187.9
[M+K]+ 356.119358 176.9
[M+H-H2O]+ 300.153460 165.3
[M+HCOO]- 362.154401 187.9
[M+CH3COO]- 376.170051 184.9
[M+Na-2H]- 338.130866 173.0
[M]+ 317.15565142 175.6
[M]- 317.15674858 175.6
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

patents stripe