CID 3078061

B 1216

Structural Information

Molecular Formula
C16H21N3OS
SMILES
CC1=C(SC=N1)OCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3OS/c1-14-16(21-13-17-14)20-12-11-18-7-9-19(10-8-18)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3
InChIKey
GAHWMIUURICYHA-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(4-phenylpiperazin-1-yl)ethoxy]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

303.14053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.147806 170.3
[M+Na]+ 326.129748 176.9
[M-H]- 302.133254 175.5
[M+NH4]+ 321.174353 183.4
[M+K]+ 342.103688 172.0
[M+H-H2O]+ 286.137790 160.5
[M+HCOO]- 348.138731 183.5
[M+CH3COO]- 362.154381 180.2
[M+Na-2H]- 324.115196 169.4
[M]+ 303.13998142 170.1
[M]- 303.14107858 170.1
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