CID 3074743

Methyl 4-((3-(1h-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)benzoate

Structural Information

Molecular Formula
C17H19N3O4S
SMILES
COC(=O)C1=CC=C(C=C1)OCC2N(CCS2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H19N3O4S/c1-23-17(22)13-2-4-14(5-3-13)24-11-16-20(8-9-25-16)15(21)10-19-7-6-18-12-19/h2-7,12,16H,8-11H2,1H3
InChIKey
ILAMKVUHWSQJHY-UHFFFAOYSA-N
Compound name
methyl 4-[[3-(2-imidazol-1-ylacetyl)-1,3-thiazolidin-2-yl]methoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.10962 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.11690 183.9
[M+Na]+ 384.09884 190.3
[M-H]- 360.10234 190.4
[M+NH4]+ 379.14344 196.2
[M+K]+ 400.07278 187.6
[M+H-H2O]+ 344.10688 175.2
[M+HCOO]- 406.10782 198.1
[M+CH3COO]- 420.12347 208.4
[M+Na-2H]- 382.08429 179.4
[M]+ 361.10907 188.1
[M]- 361.11017 188.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.