CID 211965

23776-36-5

Structural Information

Molecular Formula
C19H23N3O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)CC(=O)N2CCN(CC2)C3=NC=CS3
InChI
InChI=1S/C19H23N3O5S/c1-25-15-10-13(11-16(26-2)18(15)27-3)14(23)12-17(24)21-5-7-22(8-6-21)19-20-4-9-28-19/h4,9-11H,5-8,12H2,1-3H3
InChIKey
OHPFLPZKMKUDAU-UHFFFAOYSA-N
Compound name
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.13583 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.14311 193.8
[M+Na]+ 428.12505 204.0
[M+NH4]+ 423.16965 198.4
[M+K]+ 444.09899 199.5
[M-H]- 404.12855 195.6
[M+Na-2H]- 426.11050 198.0
[M]+ 405.13528 195.9
[M]- 405.13638 195.9
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.