CID 9575801

Chembl61112

Structural Information

Molecular Formula
C14H23N3O3
SMILES
C/C(=N\OCC=C)/C(=O)NCC1=NOC(C1)C(C)(C)C
InChI
InChI=1S/C14H23N3O3/c1-6-7-19-16-10(2)13(18)15-9-11-8-12(20-17-11)14(3,4)5/h6,12H,1,7-9H2,2-5H3,(H,15,18)/b16-10+
InChIKey
AOQKZPIYTOIVIQ-MHWRWJLKSA-N
Compound name
(2E)-N-[(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2-prop-2-enoxyiminopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.17395 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18123 169.7
[M+Na]+ 304.16317 174.2
[M-H]- 280.16667 173.4
[M+NH4]+ 299.20777 184.9
[M+K]+ 320.13711 174.3
[M+H-H2O]+ 264.17121 162.4
[M+HCOO]- 326.17215 190.9
[M+CH3COO]- 340.18780 206.7
[M+Na-2H]- 302.14862 172.0
[M]+ 281.17340 172.7
[M]- 281.17450 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.