CID 3068034

2-(2-methoxyphenyl)-5-methylthiazolidine-4-one

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CC1C(=O)NC(S1)C2=CC=CC=C2OC
InChI
InChI=1S/C11H13NO2S/c1-7-10(13)12-11(15-7)8-5-3-4-6-9(8)14-2/h3-7,11H,1-2H3,(H,12,13)
InChIKey
ONARVZUZXPSUJA-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe