CID 163735

104822-41-5

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)C1=CC(=NC=C1)N2C(CN(C2=O)C)O
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)9-5-6-14-10(7-9)16-11(17)8-15(4)12(16)18/h5-7,11,17H,8H2,1-4H3
InChIKey
JPYXVWROKRXYHK-UHFFFAOYSA-N
Compound name
3-(4-tert-butylpyridin-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

249.14772 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 160.1
[M+Na]+ 272.13694 169.0
[M-H]- 248.14044 162.2
[M+NH4]+ 267.18154 175.1
[M+K]+ 288.11088 165.6
[M+H-H2O]+ 232.14498 152.5
[M+HCOO]- 294.14592 176.2
[M+CH3COO]- 308.16157 192.9
[M+Na-2H]- 270.12239 161.5
[M]+ 249.14717 159.6
[M]- 249.14827 159.6
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

patents stripe