CID 3078077

B 1366

Structural Information

Molecular Formula
C17H22ClN3OS
SMILES
CC1=C(C(=CC=C1)Cl)N2CCN(CC2)CCOC3=C(N=CS3)C
InChI
InChI=1S/C17H22ClN3OS/c1-13-4-3-5-15(18)16(13)21-8-6-20(7-9-21)10-11-22-17-14(2)19-12-23-17/h3-5,12H,6-11H2,1-2H3
InChIKey
GDHFQNWJSOAQAE-UHFFFAOYSA-N
Compound name
5-[2-[4-(2-chloro-6-methylphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.11722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.12450 181.9
[M+Na]+ 374.10644 196.1
[M+NH4]+ 369.15104 190.3
[M+K]+ 390.08038 187.2
[M-H]- 350.10994 186.7
[M+Na-2H]- 372.09189 188.9
[M]+ 351.11667 186.1
[M]- 351.11777 186.1
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