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

2
Patents

303.14053 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.14781 170.4
[M+Na]+ 326.12975 183.3
[M+NH4]+ 321.17435 178.7
[M+K]+ 342.10369 175.2
[M-H]- 302.13325 175.1
[M+Na-2H]- 324.11520 178.2
[M]+ 303.13998 174.0
[M]- 303.14108 174.0
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