CID 2839874

2-(4-methoxyphenyl)-5-methyl-4-thiazolidinone

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CC1C(=O)NC(S1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H13NO2S/c1-7-10(13)12-11(15-7)8-3-5-9(14-2)6-4-8/h3-7,11H,1-2H3,(H,12,13)
InChIKey
UTVSNADZGAVXTJ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

223.0667 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 147.9
[M+Na]+ 246.05592 156.7
[M-H]- 222.05942 152.6
[M+NH4]+ 241.10052 167.0
[M+K]+ 262.02986 152.8
[M+H-H2O]+ 206.06396 141.9
[M+HCOO]- 268.06490 164.0
[M+CH3COO]- 282.08055 184.0
[M+Na-2H]- 244.04137 147.5
[M]+ 223.06615 148.4
[M]- 223.06725 148.4
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

patents stripe