CID 3072137

141034-15-3

Structural Information

Molecular Formula
C13H16N2OS
SMILES
C1CC2=CC=CC=C2[C@H]([C@@H]1O)NC3=NCCS3
InChI
InChI=1S/C13H16N2OS/c16-11-6-5-9-3-1-2-4-10(9)12(11)15-13-14-7-8-17-13/h1-4,11-12,16H,5-8H2,(H,14,15)/t11-,12-/m1/s1
InChIKey
IJYJPVUMGMGDDO-VXGBXAGGSA-N
Compound name
(1R,2R)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-1,2,3,4-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.09833 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10561 152.5
[M+Na]+ 271.08755 159.2
[M-H]- 247.09105 157.2
[M+NH4]+ 266.13215 171.0
[M+K]+ 287.06149 154.4
[M+H-H2O]+ 231.09559 145.9
[M+HCOO]- 293.09653 167.3
[M+CH3COO]- 307.11218 163.8
[M+Na-2H]- 269.07300 154.9
[M]+ 248.09778 149.5
[M]- 248.09888 149.5
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.