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 193.9
[M+Na]+ 424.13015 197.7
[M-H]- 400.13365 200.3
[M+NH4]+ 419.17475 203.3
[M+K]+ 440.10409 193.7
[M+H-H2O]+ 384.13819 183.9
[M+HCOO]- 446.13913 208.3
[M+CH3COO]- 460.15478 219.5
[M+Na-2H]- 422.11560 191.8
[M]+ 401.14038 196.7
[M]- 401.14148 196.7
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.