CID 3021499

Piperazine, 1-(2-methylphenyl)-4-(2-(4-methyl-5-thiazolyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C17H23N3S
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=C(N=CS3)C
InChI
InChI=1S/C17H23N3S/c1-14-5-3-4-6-16(14)20-11-9-19(10-12-20)8-7-17-15(2)18-13-21-17/h3-6,13H,7-12H2,1-2H3
InChIKey
MFOYGKCWPKLJMN-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.16125 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16853 171.7
[M+Na]+ 324.15047 179.0
[M-H]- 300.15397 177.2
[M+NH4]+ 319.19507 185.3
[M+K]+ 340.12441 173.2
[M+H-H2O]+ 284.15851 162.1
[M+HCOO]- 346.15945 184.3
[M+CH3COO]- 360.17510 181.7
[M+Na-2H]- 322.13592 169.5
[M]+ 301.16070 170.9
[M]- 301.16180 170.9
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.