CID 3056208

73553-68-1

Structural Information

Molecular Formula
C15H19N3S
SMILES
CC1=CC(=CC=C1)CC2=CSC(=N2)N3CCNCC3
InChI
InChI=1S/C15H19N3S/c1-12-3-2-4-13(9-12)10-14-11-19-15(17-14)18-7-5-16-6-8-18/h2-4,9,11,16H,5-8,10H2,1H3
InChIKey
ZVBHROYMFONQMY-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.12997 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 162.8
[M+Na]+ 296.11919 175.9
[M+NH4]+ 291.16379 171.6
[M+K]+ 312.09313 167.8
[M-H]- 272.12269 167.5
[M+Na-2H]- 294.10464 170.7
[M]+ 273.12942 166.4
[M]- 273.13052 166.4
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