CID 56490

Brn 0680856

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CCOCCC1=C(ON=C1C)NC(=O)C(C(C)C)N(C)C
InChI
InChI=1S/C15H27N3O3/c1-7-20-9-8-12-11(4)17-21-15(12)16-14(19)13(10(2)3)18(5)6/h10,13H,7-9H2,1-6H3,(H,16,19)
InChIKey
SKLBMXULEPAUGX-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-N-[4-(2-ethoxyethyl)-3-methyl-1,2-oxazol-5-yl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 176.7
[M+Na]+ 320.19445 181.1
[M-H]- 296.19795 180.8
[M+NH4]+ 315.23905 191.3
[M+K]+ 336.16839 182.4
[M+H-H2O]+ 280.20249 168.7
[M+HCOO]- 342.20343 198.1
[M+CH3COO]- 356.21908 215.0
[M+Na-2H]- 318.17990 175.2
[M]+ 297.20468 182.7
[M]- 297.20578 182.7
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

No patent data available for this compound.