CID 135408317

2-[(2e)-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]-n-phenylacetamide

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
C1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3)S2
InChI
InChI=1S/C17H15N3O2S/c21-15(18-12-7-3-1-4-8-12)11-14-16(22)20-17(23-14)19-13-9-5-2-6-10-13/h1-10,14H,11H2,(H,18,21)(H,19,20,22)
InChIKey
GZLHJLJEIVRVKW-UHFFFAOYSA-N
Compound name
2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

325.0885 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.095776 174.1
[M+Na]+ 348.077718 179.7
[M-H]- 324.081224 182.3
[M+NH4]+ 343.122323 188.0
[M+K]+ 364.051658 173.8
[M+H-H2O]+ 308.085760 165.3
[M+HCOO]- 370.086701 192.6
[M+CH3COO]- 384.102351 184.3
[M+Na-2H]- 346.063166 174.7
[M]+ 325.08795142 172.0
[M]- 325.08904858 172.0
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