CID 3021497

Piperazine, 1-(2-(4-methyl-5-thiazolyl)ethyl)-4-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C16H21N3S
SMILES
CC1=C(SC=N1)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3S/c1-14-16(20-13-17-14)7-8-18-9-11-19(12-10-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKey
ADUBJHQJHAAFNC-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

287.14563 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15291 167.1
[M+Na]+ 310.13485 180.5
[M+NH4]+ 305.17945 176.0
[M+K]+ 326.10879 171.8
[M-H]- 286.13835 172.2
[M+Na-2H]- 308.12030 175.3
[M]+ 287.14508 170.9
[M]- 287.14618 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

patents stripe