CID 3078073

B 1325

Structural Information

Molecular Formula
C18H25N3O2S
SMILES
CCOC1=CC=CC(=C1)N2CCN(CC2)CCOC3=C(N=CS3)C
InChI
InChI=1S/C18H25N3O2S/c1-3-22-17-6-4-5-16(13-17)21-9-7-20(8-10-21)11-12-23-18-15(2)19-14-24-18/h4-6,13-14H,3,7-12H2,1-2H3
InChIKey
UPIIZYYUVMOPJK-UHFFFAOYSA-N
Compound name
5-[2-[4-(3-ethoxyphenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.16675 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17403 182.8
[M+Na]+ 370.15597 195.1
[M+NH4]+ 365.20057 190.1
[M+K]+ 386.12991 187.3
[M-H]- 346.15947 186.9
[M+Na-2H]- 368.14142 189.3
[M]+ 347.16620 186.1
[M]- 347.16730 186.1
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

No patent data available for this compound.