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]+ 318.16348 175.0
[M+Na]+ 340.14542 182.1
[M-H]- 316.14892 180.5
[M+NH4]+ 335.19002 187.9
[M+K]+ 356.11936 176.9
[M+H-H2O]+ 300.15346 165.3
[M+HCOO]- 362.15440 187.9
[M+CH3COO]- 376.17005 184.9
[M+Na-2H]- 338.13087 173.0
[M]+ 317.15565 175.6
[M]- 317.15675 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