CID 3074766

161364-77-8

Structural Information

Molecular Formula
C20H23N3O4S
SMILES
COC1=CC=CC=C1OCC2N(CCS2)C(=O)CC(=O)NCC3=CC=NC=C3
InChI
InChI=1S/C20H23N3O4S/c1-26-16-4-2-3-5-17(16)27-14-20-23(10-11-28-20)19(25)12-18(24)22-13-15-6-8-21-9-7-15/h2-9,20H,10-14H2,1H3,(H,22,24)
InChIKey
NMZPDHQKGXXXGT-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenoxy)methyl]-1,3-thiazolidin-3-yl]-3-oxo-N-(pyridin-4-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.14093 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14821 193.2
[M+Na]+ 424.13015 202.8
[M+NH4]+ 419.17475 198.6
[M+K]+ 440.10409 197.0
[M-H]- 400.13365 196.5
[M+Na-2H]- 422.11560 199.2
[M]+ 401.14038 195.6
[M]- 401.14148 195.6
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.