CID 290165

2-phenyl-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C9H9NOS
SMILES
C1C(=O)NC(S1)C2=CC=CC=C2
InChI
InChI=1S/C9H9NOS/c11-8-6-12-9(10-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11)
InChIKey
ZMOOFKQWPDBUEM-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

179.04048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.04776 136.2
[M+Na]+ 202.02970 144.4
[M-H]- 178.03320 140.6
[M+NH4]+ 197.07430 156.6
[M+K]+ 218.00364 140.6
[M+H-H2O]+ 162.03774 130.2
[M+HCOO]- 224.03868 152.9
[M+CH3COO]- 238.05433 149.2
[M+Na-2H]- 200.01515 138.0
[M]+ 179.03993 133.8
[M]- 179.04103 133.8
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