CID 3072138

Brn 5341103

Structural Information

Molecular Formula
C12H14N2OS
SMILES
C1CSC(=N1)N[C@H]2[C@@H](CC3=CC=CC=C23)O
InChI
InChI=1S/C12H14N2OS/c15-10-7-8-3-1-2-4-9(8)11(10)14-12-13-5-6-16-12/h1-4,10-11,15H,5-7H2,(H,13,14)/t10-,11-/m1/s1
InChIKey
JNNJKWBEXNHBNT-GHMZBOCLSA-N
Compound name
(1R,2R)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-2,3-dihydro-1H-inden-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 149.8
[M+Na]+ 257.07191 158.1
[M-H]- 233.07541 155.5
[M+NH4]+ 252.11651 171.0
[M+K]+ 273.04585 154.0
[M+H-H2O]+ 217.07995 144.2
[M+HCOO]- 279.08089 167.3
[M+CH3COO]- 293.09654 162.4
[M+Na-2H]- 255.05736 151.0
[M]+ 234.08214 149.0
[M]- 234.08324 149.0
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.