CID 12052430

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

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
C1C(=O)N(C(=O)S1)CC2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N2O2S/c11-8-3-1-7(2-4-8)5-12-9(13)6-15-10(12)14/h1-4H,5-6,11H2
InChIKey
APBKQOXUQZQDBA-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)methyl]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

222.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.053576 146.6
[M+Na]+ 245.035518 155.7
[M-H]- 221.039024 152.3
[M+NH4]+ 240.080123 165.7
[M+K]+ 261.009458 151.7
[M+H-H2O]+ 205.043560 140.1
[M+HCOO]- 267.044501 165.1
[M+CH3COO]- 281.060151 187.0
[M+Na-2H]- 243.020966 146.7
[M]+ 222.04575142 146.1
[M]- 222.04684858 146.1
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