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]+ 209.10330 145.6
[M+Na]+ 231.08524 154.5
[M-H]- 207.08874 148.9
[M+NH4]+ 226.12984 160.5
[M+K]+ 247.05918 152.7
[M+H-H2O]+ 191.09328 136.9
[M+HCOO]- 253.09422 165.6
[M+CH3COO]- 267.10987 186.9
[M+Na-2H]- 229.07069 149.4
[M]+ 208.09547 144.6
[M]- 208.09657 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.