CID 9575802

Chembl64277

Structural Information

Molecular Formula
C15H25N3O3
SMILES
CC/C(=N\OCC=C)/C(=O)NCC1=NOC(C1)C(C)(C)C
InChI
InChI=1S/C15H25N3O3/c1-6-8-20-18-12(7-2)14(19)16-10-11-9-13(21-17-11)15(3,4)5/h6,13H,1,7-10H2,2-5H3,(H,16,19)/b18-12+
InChIKey
KCANSEDWHNNXGI-LDADJPATSA-N
Compound name
(2E)-N-[(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2-prop-2-enoxyiminobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.1896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.19688 174.3
[M+Na]+ 318.17882 178.4
[M-H]- 294.18232 177.8
[M+NH4]+ 313.22342 188.9
[M+K]+ 334.15276 178.2
[M+H-H2O]+ 278.18686 166.8
[M+HCOO]- 340.18780 195.1
[M+CH3COO]- 354.20345 209.7
[M+Na-2H]- 316.16427 176.1
[M]+ 295.18905 177.6
[M]- 295.19015 177.6
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.