CID 3072139

Brn 5351285

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CC(=O)C1CN(C(=N)S1)[C@H]2[C@@H](CCC3=CC=CC=C23)O
InChI
InChI=1S/C15H18N2O2S/c1-9(18)13-8-17(15(16)20-13)14-11-5-3-2-4-10(11)6-7-12(14)19/h2-5,12-14,16,19H,6-8H2,1H3/t12-,13?,14-/m1/s1
InChIKey
AKKUNFXLBYLQBZ-WYAMFQBQSA-N
Compound name
1-[3-[(1R,2R)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-imino-1,3-thiazolidin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1089 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 165.6
[M+Na]+ 313.09812 175.1
[M+NH4]+ 308.14272 173.6
[M+K]+ 329.07206 169.2
[M-H]- 289.10162 168.6
[M+Na-2H]- 311.08357 168.8
[M]+ 290.10835 167.9
[M]- 290.10945 167.9
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.