CID 157961

81479-65-4

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(=O)OC1CN(C(=O)N1C2=CC(=NO2)C(C)(C)C)C
InChI
InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(14-20-10)13(2,3)4/h6,11H,7H2,1-5H3
InChIKey
MIGRYTAVWMQWCF-UHFFFAOYSA-N
Compound name
[3-(3-tert-butyl-1,2-oxazol-5-yl)-1-methyl-2-oxoimidazolidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.13754 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 163.8
[M+Na]+ 304.12676 172.6
[M+NH4]+ 299.17136 168.0
[M+K]+ 320.10070 174.5
[M-H]- 280.13026 163.4
[M+Na-2H]- 302.11221 165.2
[M]+ 281.13699 164.5
[M]- 281.13809 164.5
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

patents stripe