CID 3074764

161364-76-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 402.148206 193.9
[M+Na]+ 424.130148 197.7
[M-H]- 400.133654 200.3
[M+NH4]+ 419.174753 203.3
[M+K]+ 440.104088 193.7
[M+H-H2O]+ 384.138190 183.9
[M+HCOO]- 446.139131 208.3
[M+CH3COO]- 460.154781 219.5
[M+Na-2H]- 422.115596 191.8
[M]+ 401.14038142 196.7
[M]- 401.14147858 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.