CID 16044736

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

Structural Information

Molecular Formula
C12H13NOS
SMILES
C1CC1N2C(SCC2=O)C3=CC=CC=C3
InChI
InChI=1S/C12H13NOS/c14-11-8-15-12(13(11)10-6-7-10)9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKey
CAQHDFBDKHDMKL-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-phenyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

219.0718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.079076 144.5
[M+Na]+ 242.061018 154.3
[M-H]- 218.064524 153.7
[M+NH4]+ 237.105623 159.2
[M+K]+ 258.034958 150.1
[M+H-H2O]+ 202.069060 137.5
[M+HCOO]- 264.070001 162.3
[M+CH3COO]- 278.085651 157.3
[M+Na-2H]- 240.046466 145.2
[M]+ 219.07125142 146.3
[M]- 219.07234858 146.3
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

No patent data available for this compound.