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 183.2
[M+Na]+ 390.10134 189.6
[M-H]- 366.10484 187.3
[M+NH4]+ 385.14594 193.9
[M+K]+ 406.07528 183.5
[M+H-H2O]+ 350.10938 174.2
[M+HCOO]- 412.11032 189.0
[M+CH3COO]- 426.12597 191.6
[M+Na-2H]- 388.08679 179.7
[M]+ 367.11157 184.8
[M]- 367.11267 184.8
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