CID 9575803

Chembl418677

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC(C)(C)C1CC(=NO1)CNC(=O)/C(=N/OCC=C)/C2=CC=CC=C2
InChI
InChI=1S/C19H25N3O3/c1-5-11-24-22-17(14-9-7-6-8-10-14)18(23)20-13-15-12-16(25-21-15)19(2,3)4/h5-10,16H,1,11-13H2,2-4H3,(H,20,23)/b22-17+
InChIKey
MFBOKLQBDAMEHS-OQKWZONESA-N
Compound name
(2E)-N-[(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methyl]-2-phenyl-2-prop-2-enoxyiminoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 185.4
[M+Na]+ 366.17882 188.9
[M-H]- 342.18232 192.0
[M+NH4]+ 361.22342 197.5
[M+K]+ 382.15276 187.3
[M+H-H2O]+ 326.18686 176.5
[M+HCOO]- 388.18780 206.4
[M+CH3COO]- 402.20345 217.3
[M+Na-2H]- 364.16427 187.5
[M]+ 343.18905 187.6
[M]- 343.19015 187.6
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.