CID 80654969

3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one hydrochloride

Structural Information

Molecular Formula
C9H12N4O2
SMILES
CC1=CC(=NC(=N1)CN2CCOC2=O)N
InChI
InChI=1S/C9H12N4O2/c1-6-4-7(10)12-8(11-6)5-13-2-3-15-9(13)14/h4H,2-3,5H2,1H3,(H2,10,11,12)
InChIKey
QJIIQROQLDVXJQ-UHFFFAOYSA-N
Compound name
3-[(4-amino-6-methylpyrimidin-2-yl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.09602 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.103296 145.6
[M+Na]+ 231.085238 154.5
[M-H]- 207.088744 148.9
[M+NH4]+ 226.129843 160.5
[M+K]+ 247.059178 152.7
[M+H-H2O]+ 191.093280 136.9
[M+HCOO]- 253.094221 165.6
[M+CH3COO]- 267.109871 186.9
[M+Na-2H]- 229.070686 149.4
[M]+ 208.09547142 144.6
[M]- 208.09656858 144.6
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.