CID 3078091

B 1510

Structural Information

Molecular Formula
C18H25N3O3S
SMILES
CC1=C(SC=N1)OCC(CN2CCN(CC2)C3=CC=CC=C3OC)O
InChI
InChI=1S/C18H25N3O3S/c1-14-18(25-13-19-14)24-12-15(22)11-20-7-9-21(10-8-20)16-5-3-4-6-17(16)23-2/h3-6,13,15,22H,7-12H2,1-2H3
InChIKey
WZZDUDRNFDDSDY-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)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

363.16165 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16893 185.3
[M+Na]+ 386.15087 196.1
[M+NH4]+ 381.19547 191.5
[M+K]+ 402.12481 190.1
[M-H]- 362.15437 188.2
[M+Na-2H]- 384.13632 190.6
[M]+ 363.16110 187.9
[M]- 363.16220 187.9
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.