CID 3078085

B 1406

Structural Information

Molecular Formula
C18H24ClN3O2S
SMILES
CC1=C(C=CC(=C1)Cl)N2CCN(CC2)CC(COC3=C(N=CS3)C)O
InChI
InChI=1S/C18H24ClN3O2S/c1-13-9-15(19)3-4-17(13)22-7-5-21(6-8-22)10-16(23)11-24-18-14(2)20-12-25-18/h3-4,9,12,16,23H,5-8,10-11H2,1-2H3
InChIKey
USHAADFIXOXCMK-UHFFFAOYSA-N
Compound name
1-[4-(4-chloro-2-methylphenyl)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

0
Patents

381.12778 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.13506 188.7
[M+Na]+ 404.11700 201.3
[M+NH4]+ 399.16160 195.8
[M+K]+ 420.09094 193.9
[M-H]- 380.12050 192.3
[M+Na-2H]- 402.10245 194.3
[M]+ 381.12723 192.2
[M]- 381.12833 192.2
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

No patent data available for this compound.