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 162.6
[M+Na]+ 296.11919 169.5
[M-H]- 272.12269 166.8
[M+NH4]+ 291.16379 176.4
[M+K]+ 312.09313 163.4
[M+H-H2O]+ 256.12723 153.6
[M+HCOO]- 318.12817 174.5
[M+CH3COO]- 332.14382 172.6
[M+Na-2H]- 294.10464 161.9
[M]+ 273.12942 159.1
[M]- 273.13052 159.1
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