CID 10474038

Thiazolidine, 2-((2-methoxyphenoxy)methyl)-3-((4-methyl-1-piperazinyl)acetyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H27N3O3S
SMILES
CN1CCN(CC1)CC(=O)N2CCSC2COC3=CC=CC=C3OC
InChI
InChI=1S/C18H27N3O3S/c1-19-7-9-20(10-8-19)13-17(22)21-11-12-25-18(21)14-24-16-6-4-3-5-15(16)23-2/h3-6,18H,7-14H2,1-2H3
InChIKey
WWGRDXOULNBHIO-UHFFFAOYSA-N
Compound name
1-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-2-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.1773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18458 187.5
[M+Na]+ 388.16652 191.4
[M-H]- 364.17002 192.0
[M+NH4]+ 383.21112 197.8
[M+K]+ 404.14046 187.7
[M+H-H2O]+ 348.17456 177.6
[M+HCOO]- 410.17550 196.6
[M+CH3COO]- 424.19115 212.1
[M+Na-2H]- 386.15197 182.5
[M]+ 365.17675 187.1
[M]- 365.17785 187.1
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.