CID 54595792

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one hydrochloride

Structural Information

Molecular Formula
C12H14N2O2
SMILES
C1CNCC2=C1C(=CC=C2)N3CCOC3=O
InChI
InChI=1S/C12H14N2O2/c15-12-14(6-7-16-12)11-3-1-2-9-8-13-5-4-10(9)11/h1-3,13H,4-8H2
InChIKey
GEEDIKXYZLKGCK-UHFFFAOYSA-N
Compound name
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10553 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.112806 147.7
[M+Na]+ 241.094748 154.2
[M-H]- 217.098254 151.2
[M+NH4]+ 236.139353 163.8
[M+K]+ 257.068688 151.2
[M+H-H2O]+ 201.102790 139.7
[M+HCOO]- 263.103731 163.1
[M+CH3COO]- 277.119381 158.9
[M+Na-2H]- 239.080196 151.7
[M]+ 218.10498142 142.6
[M]- 218.10607858 142.6
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.