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]+ 249.105606 152.5
[M+Na]+ 271.087548 159.2
[M-H]- 247.091054 157.2
[M+NH4]+ 266.132153 171.0
[M+K]+ 287.061488 154.4
[M+H-H2O]+ 231.095590 145.9
[M+HCOO]- 293.096531 167.3
[M+CH3COO]- 307.112181 163.8
[M+Na-2H]- 269.072996 154.9
[M]+ 248.09778142 149.5
[M]- 248.09887858 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.