CID 3078095

B 1548

Structural Information

Molecular Formula
C17H22ClN3O2S
SMILES
CC1=C(SC=N1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)Cl)O
InChI
InChI=1S/C17H22ClN3O2S/c1-13-17(24-12-19-13)23-11-16(22)10-20-5-7-21(8-6-20)15-4-2-3-14(18)9-15/h2-4,9,12,16,22H,5-8,10-11H2,1H3
InChIKey
HVYZRUNIUWUTCP-UHFFFAOYSA-N
Compound name
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

367.11212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11940 183.8
[M+Na]+ 390.10134 196.2
[M+NH4]+ 385.14594 191.1
[M+K]+ 406.07528 188.9
[M-H]- 366.10484 187.3
[M+Na-2H]- 388.08679 189.8
[M]+ 367.11157 187.2
[M]- 367.11267 187.2
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