CID 3078081

B 1392

Structural Information

Molecular Formula
C19H27N3O3S
SMILES
CCOC1=CC=CC=C1N2CCN(CC2)CC(COC3=C(N=CS3)C)O
InChI
InChI=1S/C19H27N3O3S/c1-3-24-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-16(23)13-25-19-15(2)20-14-26-19/h4-7,14,16,23H,3,8-13H2,1-2H3
InChIKey
BSQQHCGGFKCAET-UHFFFAOYSA-N
Compound name
1-[4-(2-ethoxyphenyl)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

6
Patents

377.1773 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18458 189.5
[M+Na]+ 400.16652 200.2
[M+NH4]+ 395.21112 195.6
[M+K]+ 416.14046 193.9
[M-H]- 376.17002 192.4
[M+Na-2H]- 398.15197 194.6
[M]+ 377.17675 192.1
[M]- 377.17785 192.1
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