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

9
Patents

287.14563 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.152906 167.0
[M+Na]+ 310.134848 173.8
[M-H]- 286.138354 172.2
[M+NH4]+ 305.179453 180.9
[M+K]+ 326.108788 168.4
[M+H-H2O]+ 270.142890 157.3
[M+HCOO]- 332.143831 180.0
[M+CH3COO]- 346.159481 177.1
[M+Na-2H]- 308.120296 166.0
[M]+ 287.14508142 165.5
[M]- 287.14617858 165.5
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