CID 3078071

B 1313

Structural Information

Molecular Formula
C17H22ClN3OS
SMILES
CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCOC3=C(N=CS3)C
InChI
InChI=1S/C17H22ClN3OS/c1-13-3-4-15(18)11-16(13)21-7-5-20(6-8-21)9-10-22-17-14(2)19-12-23-17/h3-4,11-12H,5-10H2,1-2H3
InChIKey
CLTNHUKKGFSFBX-UHFFFAOYSA-N
Compound name
5-[2-[4-(5-chloro-2-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 181.8
[M+Na]+ 374.10644 190.2
[M-H]- 350.10994 187.4
[M+NH4]+ 369.15104 194.4
[M+K]+ 390.08038 183.7
[M+H-H2O]+ 334.11448 172.5
[M+HCOO]- 396.11542 189.8
[M+CH3COO]- 410.13107 191.4
[M+Na-2H]- 372.09189 178.5
[M]+ 351.11667 184.6
[M]- 351.11777 184.6
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