CID 157314

80024-58-4

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC(=O)OC1CN(C(=O)N1C2=NOC(=C2)C(C)(C)C)C
InChI
InChI=1S/C13H19N3O4/c1-8(17)19-11-7-15(5)12(18)16(11)10-6-9(20-14-10)13(2,3)4/h6,11H,7H2,1-5H3
InChIKey
QXOWNFHVPIWXKF-UHFFFAOYSA-N
Compound name
[3-(5-tert-butyl-1,2-oxazol-3-yl)-1-methyl-2-oxoimidazolidin-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 164.1
[M+Na]+ 304.12676 172.9
[M-H]- 280.13026 168.6
[M+NH4]+ 299.17136 178.8
[M+K]+ 320.10070 172.9
[M+H-H2O]+ 264.13480 157.5
[M+HCOO]- 326.13574 181.2
[M+CH3COO]- 340.15139 199.4
[M+Na-2H]- 302.11221 163.6
[M]+ 281.13699 168.3
[M]- 281.13809 168.3
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