CID 2768377

5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1=CC(=CC=C1CC2C(=O)NC(=O)S2)N
InChI
InChI=1S/C10H10N2O2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5,11H2,(H,12,13,14)
InChIKey
QEVZXOBJHGOAML-UHFFFAOYSA-N
Compound name
5-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

47
Patents

222.0463 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 146.9
[M+Na]+ 245.035518 155.4
[M-H]- 221.039024 151.0
[M+NH4]+ 240.080123 165.2
[M+K]+ 261.009458 150.5
[M+H-H2O]+ 205.043560 140.6
[M+HCOO]- 267.044501 163.8
[M+CH3COO]- 281.060151 184.6
[M+Na-2H]- 243.020966 146.5
[M]+ 222.04575142 144.5
[M]- 222.04684858 144.5
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