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

6
Patents

281.13754 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.144816 164.1
[M+Na]+ 304.126758 172.9
[M-H]- 280.130264 168.6
[M+NH4]+ 299.171363 178.8
[M+K]+ 320.100698 172.9
[M+H-H2O]+ 264.134800 157.5
[M+HCOO]- 326.135741 181.2
[M+CH3COO]- 340.151391 199.4
[M+Na-2H]- 302.112206 163.6
[M]+ 281.13699142 168.3
[M]- 281.13808858 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