CID 56645

Brn 0689714

Structural Information

Molecular Formula
C17H31N3O3
SMILES
CCCCOCCC1=C(ON=C1C)NC(=O)C(C(C)C)N(C)C
InChI
InChI=1S/C17H31N3O3/c1-7-8-10-22-11-9-14-13(4)19-23-17(14)18-16(21)15(12(2)3)20(5)6/h12,15H,7-11H2,1-6H3,(H,18,21)
InChIKey
JGSJWPORABVFFR-UHFFFAOYSA-N
Compound name
N-[4-(2-butoxyethyl)-3-methyl-1,2-oxazol-5-yl]-2-(dimethylamino)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.23654 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.24382 186.1
[M+Na]+ 348.22576 189.5
[M-H]- 324.22926 189.7
[M+NH4]+ 343.27036 199.5
[M+K]+ 364.19970 190.4
[M+H-H2O]+ 308.23380 177.7
[M+HCOO]- 370.23474 206.8
[M+CH3COO]- 384.25039 220.9
[M+Na-2H]- 346.21121 183.5
[M]+ 325.23599 192.7
[M]- 325.23709 192.7
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.