CID 3072140

Brn 5350324

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CC(=O)C1CN(C(=N)S1)[C@H]2[C@@H](CC3=CC=CC=C23)O
InChI
InChI=1S/C14H16N2O2S/c1-8(17)12-7-16(14(15)19-12)13-10-5-3-2-4-9(10)6-11(13)18/h2-5,11-13,15,18H,6-7H2,1H3/t11-,12?,13-/m1/s1
InChIKey
FSMGDQBVGQNYIV-LKOMHFJYSA-N
Compound name
1-[3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-imino-1,3-thiazolidin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09326 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 162.9
[M+Na]+ 299.08248 171.5
[M+NH4]+ 294.12708 170.8
[M+K]+ 315.05642 168.0
[M-H]- 275.08598 165.3
[M+Na-2H]- 297.06793 165.4
[M]+ 276.09271 164.9
[M]- 276.09381 164.9
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

No patent data available for this compound.